Chemsketch Rom

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Structure mode. Screen

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Insert PageInserts a blank page at any place within your ChemSketch document. Note that the usual way - through

New(Pages menu) - adds a page at the end of document.

How to use: Go to the page before which you want to insert a blank page and click the Insert Pagebutton.

Clone PageClones the current page (together with its contents) a specified number of times - it is very useful for

filling in the document with page templates, tables, titles, etc. New pages are added at the end of a

document.

How to use: Make the page which you wish to clone active and click the Clone Page button. In the dialogbox that appears, specify the number of clones and clickOK.

Move/Copy PageMoves and copies pages -i.e., changes page order in your document.

How to use: Go to the page which you wish to move or copy and click the Move/Copy Page button. Inthe dialog box that appears, type the number of the page after which you wish to place the current page,

and then define the required action: Copy orMove. ClickOK.

Reorder PagesAllows you to cut-and-paste or copy-and-paste a sequence of pages to a new position within the same

document.How to use: Click this button and, in the dialog box that appears, type the numbers of the pages to be

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moved or copied to a new position. Then, type the page number after which you want to place the

selected range of pages. Specify the required action (Copy orMove) and clickOK.

Delete PagesDeletes a range of pages at a time. Note that the pages you have deleted cannot be recovered with Undo

(Edit menu).How to use: Click this button. In the dialog box that appears, type the sequence of pages to be deleted and

clickOK.

Rename pagesChanges the name of pages. Note that the names of the pages will be shown when you clickPage 1/1 on the status bar.

How to use: Click this button and, in the dialog box that appears, type the number of the page to be(re)named, a new name of the page, and then clickOK. In the message that appears, clickYes and repeatthe previous action if you want to rename the next page; if it is not required to rename the next page, click

No.

Insert Page Numbers / AnnotationsInserts page numbers or complex annotations in your document. Note that an annotation will be inserted

at the bottom right corner of the page.How to use: Click this button and, in the dialog box that appears, type a page annotation template, and

then clickOK.Annotation template keys:

$P- inserts page numbers

$N- inserts pages names (that can be inserted by clicking Rename Pages or by using Rename

(Pages menu)).You can also include any fixed text into your annotation template (for example, template: Page $P: $Nwill insert "Page 1:Page Name", etc. annotations). If a template contains no keys, just a fixed text for

each page will be inserted; for example, you can sign all of the pages with your name.

Annotate DocumentAnnotates your documents based on the content of the leftmost top text box on each page. This is veryconvenient for managing large documents and presentations.

How to use: Click this button to annotate all of the pages containing any text. After program execution

click the page counter on the status bar to see page names.

Document BrowserLooks through the folders to find the specified ChemSketch documents as well as to search ChemSketchdocuments for the text string without opening them.

How to use: Click this button and follow the instructions that appear in the dialog box.

Create HTMLExports all of the selected pages of a current document into an HTML file, which you can later view withyour favorite web-browser. Note that this option requires ChemSketch 4.01 or later.

How to use: All the details can be found in FILLTMP.DOC file provided in the Goodies folder(\\EXAMPLES\CHEMBAS\GOODIES).

Sketch-to-VRML ConverterExports all of the molecular structures from the current page into a VRML 2.0 file, which you may thenview with Cosmo, GLView, or any other VRML browser.

How to use: Draw structures which you wish to export on the same page, and then click . In the dialogbox that appears, type the name and location of .WRL file to which structures are to be exported. Note

that if you have typed the filename only, the program will place the resulting WRL file in the same folder

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with SK2VRML.BAS. Specify the desired structure presentation by selecting the corresponding option

and clickOK.

SDF-To-Sketch ConverterImports the data (structures, text, etc.) from a file of MDL's SDfile format into ChemSketch document.

How to use: Click this button and, in the dialog box that appears, specify the name and location of theSDfile which you want to import. (If you type the filename without specifying the full path, the program

will search your SDfile in the folder where ACD/ChemBasic programs are located. So, if you placed theneeded SDfile in the same folder with SDF2SK.BAS, then simply specify the file name without a path.)Specify the number of structures per page and an SDfile field containing structures, then clickOK.

Sketch-To-SDF ConverterExports all of the structures from the current page or from the whole document to an SDfile.

How to use: Open the page with the structures you want to export (if required). Click this button and, inthe dialog box that appears, choose what you want to import - the current page or the whole document;

specify whether the formula, FW, and ID are to be exported along with the structures. Specify the name

and the path for an SDfile and clickOK. (Note that if you type the filename only, the program will placethe resulting SDfile in the same folder where EXPSDF.BAS resides.)

Table WizardCreates tables or/and aligns objects according to the specified number of rows and columns.

How to use: Click this button; you will be informed about the number of objects on the page and some

suggestions on how to align them. Specify the number of rows and columns for the table, choose whetherto create borders (the Mark-up table check box) in the table, and then clickOK. To create an emptytable, run the Table Wizard with the blank page active.

Replace ElementReplaces all of the atoms of a given type with atoms of another type in a chemical structure. This is veryuseful for drawing, for example, perfluorinated structures. Note that this can only be done with a single

structure on the page. The hydrogen atoms should be drawn explicitly (use Add Explicit Hydrogens fromthe Tools menu).

How to use: Draw or leave only one structure on the page and click this button. In the dialog box that

appears, specify the element to be replaced and the element that should replace the one specified before,and then clickOK.

Solution CalculatorCalculates the weight of a compound required for preparing an aqueous solution of the user-defined

volume and molar concentration. Note that program execution is possible only with a single structure onthe page.

How to use: Draw or leave one structure on the page and click this button. In the dialog box that appears,

specify the required molar concentration and aqueous solution volume, then clickOK.

Label PrinterQuickly creates labels for chemicals and prints them according to the Avery Standard (45 templates

included) or according to your own template.

How to use: Draw structures for which you want to create labels and click . Note that you can create

labels for structures from an SDfile if you run this program with an empty active page. For moreinformation, see LPRINTER.TXT provided in the Goodies folder

(\\EXAMPLES\CHEMBAS\GOODIES\LPRINTER).

Peptide Builder

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Builds a 3D peptide structure from the amino acids sequence.

How to use: Refer to the PEPBUILD.SK2 file provided in the Goodies folder(\\EXAMPLES\CHEMBAS\GOODIES\PEPBUILD) as a guide to using this button.

Carbohydrate BuilderBuilds a structure from carbohydrate abbreviated names.

How to use: For information on how to work with this tool, refer to the SUGARSK.TXT file that you can

find in the Goodies folder (\\EXAMPLES\CHEMBAS\GOODIES\SUGARSK).

Remove Spectator Ions (Desalt)An SDfile that contains one or more salt structure entries can be changed to a "one-molecule-per-entry"

SDfile. This tool removes the smallest ion, either by MW or by number of atoms. For example, sodium

acetate will have the sodium atom removed, and acetic acid will remain behind. (Note that the structureleft behind is put into neutral form.)

How to use: Specify the name and the path for an SDfile. Note that if you type the filename only, theprogram will look for a file in the Goodies folder (\\EXAMPLES\CHEMBAS\GOODIES). Then, define a

criterion for smallest part: mass or atom. The resultant SDfile will be saved in the same folder with the

original file under NEWFILE.SDF name. A special sample file, SALTS.SDF with 5 salts in it is placed in

the Goodies folder (\\EXAMPLES\CHEMBAS\GOODIES) for testing.

Nucleic Acid BuilderBuilds a 3D nucleic acid (DNA, RNA) structure (one or two chains) from your input sequence.

How to use: Click this button and follow the instructions in the dialog box that appears.

Column SelectorThis tool lets the chromatographer search a knowledge base of the most utilized columns in order to

locate the ones that have the properties best suited to the separation at hand.

How to use: Click this button and, in the dialog box that appears, specify whether to compare the selectedcolumn with the list or two selected columns between themselves, and then clickOK. In the next dialog

box, choose the proper column(s) from the drop-down list and set the weighting coefficients to be appliedto all six column parameters, then clickOK. (For information on how to work with this tool, refer to theCOLSEL_W.PDF file that you can find in the (\\DOCS) folder.)

Cum s transformi o structur din 2D n 3D (Structure mode)1. Selectez structura.

2. Din meniul Tools, alege 3D Structure Optimization sau, dinStructure toolbar, d click pe butonul .Not:

Pentru a roti n 3D , se d click pe butonul i se rotete figura.Pentru aduga atomii de H: ToolsAdd Hydrogens.

Preferences dialog box (Structure tab)

The dialog box allows you to define settings common for both Structure and Draw mode, to set thepreferences for the structures display and drawing, and to customize the appearance of reaction elements.

To display this dialog box, from the Options menu, choosePreferences.The Preferences dialog box contains four tabs

To switch between them, click the corresponding tab.

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On the Structure tab of the Preferences dialog box, you can define the preferences for the structuresdisplay and drawing.To display this dialog box, from the Options menu, choosePreferences.Thetab contains the following options:

Option Description

Fixed In this area, you can control the structure drawing.

If the Bond Angle check box is selected, you will be able to draw bonds at an anglemultiple to 15.If the Bond Length check box is selected, you will be able to draw bonds of a lengthmultiple to the value specified in the adjacent box.If you find any of these check boxes unavailable, it can mean that the Snap on Gridcheck box is selected on the General tab of this dialog box. To make the check boxes

in the Fixed area available, clear the Snap on Grid check box.

Action Center Select this check box to view the special sign showing the center of rotation or

resizing when you use the Select/Rotate/Resize tool. This will help you see thepoint relative to which the objects are resized or rotated.

Template Shadow If this check box is selected, the shadow of the template structure will be displayed

near the cursor when you use the Instant Templatetool or use templates from the

Table of Radicals orTemplate Window dialog box.

Hidden Atoms If this check box is selected, the hidden atoms will be displayed when you point tothem on the structure.

Proportional Resize If this check box is selected, the atom labels are resized in proportion to the bondswhen the structure is resized. If it is not, the atom labels remain unchanged when thestructure is resized.

Wireframe 3DRotation

If this check box is selected, all of the bonds, single as well as the others, will be

viewed as single bonds while 3D-rotating. If you want to view the structure as it wasdrawn (with all bond types remaining unchanged) while 3D-rotating, clear this check

box.

Select Graphics If this check box is selected, in the Structure mode, it is possible to select, move, andresize objects created in the Draw mode (text, shapes, arrows, etc.), as well asreactionpluses and arrows. If this check box is cleared, you can only manipulate

structures in the Structure mode.

Auto-Select Bonds If this check box is selected, as you hold down SHIFT and click two atoms or bondswith the Select/Move orSelect/Rotate/Resize tool active, the bond between them is

also selected.If this check box is cleared, you can select atoms or bonds by holding down SHIFT

and clicking them separately (so that it is possible to leave a bond unselected if its

neighbors are selected). Besides, if you hold down SHIFT and click a selected bond,the neighbors remain selected.

Auto-Stick Atoms Select this check box if you want atoms or bonds to be automatically stuck either inthe Move orTemplate modes, or when you paste a structure from the Clipboard.

Note that one atom sticks to the cursor in any mode.The mode is inverted by pressing CTRL and vice versa.

Bond Intersections In this area, you can control the intersection point of bonds. If you select the Enable

check box, ACD/ChemSketch automatically makes a kind of gap in thebackgroundbond (drawn first of the two intersecting bonds).You can specify the size of a gap in the background bond in the White Space box

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below.

3D-Optimization In this area, select the Switch to 3D-Rotation Mode check box if you want the 3D

Rotation tool to be automatically enabled after the 3D optimization is complete.

Select the Add Hydrogens check box if you want hydrogens to be added to thestructure after the 3D optimization is complete.

Markush Shadow In this area, you can adjust the options for Markush bonds. These options areespecially useful if some of the atoms in a structure participate in two or threeMarkush bindings. You can select the color and shading for atoms participating in a

Primary (created first), Secondary (created second) and Tertiary (created third)Markush binding:To shadow the atom group participating in the primary Markush binding in a solid

color, click .To shadow these atoms using a diagonal strip pattern, click .

To set the appropriate color, click the arrow in the first box, and then select a color

in the palette that appears.To select a shadow pattern, click the arrow in the rightmost box, and then from the

list of the available patterns that appears, select the appropriate one.To make Markush shadowavailable in other ACD/Labs software, e.g., in alldatabases, select the Show in Other ACD Software check box.

Keep StereoConfiguration on

In this area, select the Clean check box to keep the configuration of stereo centersunchanged when applying the Clean Structurecommand.

See EXAMPLESelect the Flips check box to keep the configuration of stereo centers unchanged

when using the Flip on Bond ,Flip Top to Bottom , orFlip Left to Righttools.

For example, when you apply the Flip Left to Right tool, the following result will

be obtained.See EXAMPLE

Auto/ManualNumbering Color

In this box, you can specify the color of atom numbers inserted eithermanually orautomatically, or by using the Atom-Atom Maptool (Auto mode).

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Scrierea unei formule structurale (Structure mode)

1. ActiveazDraw Normal de pe Structure toolbari apoi selecteaz atomul de carbon de peAtomstoolbar.

2. Pe pagina ChemSketch, d click pentru a desena "CH4".3. Dubleaz click-ul pe "CH4" pentru a desena "CH3-CH3".4. D click pe "CH3" pentru a desena "CH3-CH2-CH3".

5. Selecteaz atomul de oxigen de pe Atoms toolbar.6. D click pe gruparea "CH3" pentru a nlocui atomul de carbon cu atomul de oxigen pentru a reprezenta "CH3-

CH2-OH".7. D click pe legtura "CH2-OH" pentru a obine: "CH=O".

8. Din References toolbar, d click pe Table of Radicals .

9. nTable of Radicals ce apare, d click pe Benzen .10. D click pe atomul de carbon din gruparea "CH=O" pentru a fixa radicalul fenil.

11. Pe Atoms toolbar, d click pe Periodic Table of Elements .

12. Selecteaz atomul de fluor i click OK.13. Selecteaz gruparea "CH3"i apoi trage o linie (n orice direcie)pentru a fixa atomul de F .

14. De pe Structure toolbar, d click pe Clean Structure pentru a egala toate legturile i unghiurile dinstructura reprezentat .

Not: Dac sunt vizibili numai atomii de carbon terminali i doreti ca toi atomii de carbon s fie vizibili, de pe

Structure toolbar, d click pe Select/Move , i apoi dublu-click pe structur PropertiesCommontab, sub Show Carbons (arat carbonii), selecteaz check box-ul AllApply.

Cum se reprezint legturile simple cu opiunea Draw Normal (Deseneaz Normal) (Structuremode) Se trage de un atom deja existent pe un spaiu liber

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Se scriu separat 2 atomi care apoi se leag ntre ei. Pentru a ramifica o caten se d dublu-click pe atomul de C ce urmeaz s capete o ramificaie Se deseneaz o legtur trgnd i innd apsat tasta SHIFT.

n meniul Options Preferences dialog box (Structuretab), sub Fixed, selecteaz Bond Angle(unghiul de legtur) i Bond Length(lungimea legturii), apoi, n casetele adiacente fixeaz lungimealegturii. Click OK i deseneaz legtura.

Not:

Dac Bond Angle(unghiul de legtur) i Bond Length(lungimea legturii) check boxes nu sunt sunt

activate, aceasta nseamn c opiunea Snap on Grid i Show Grid din meniul Options suntactivate(trebuie dezactivate).

De pe Structure toolbar, d click pe Clean Structure pentru a egala toate legturile i unghiurile din structurareprezentat

Cum se reprezint legturile simple cu opiunea Draw Continuous (Deseneaz Continuu)(Structure mode)

La fel cu Cum se reprezint legturile simple cu opiunea Draw Normal (Deseneaz

Normal) (Structure mode)

Cum se reprezint legturile simple cu opiunea Draw atom chains (Deseneaz zig-zag)(Structure mode)Se pot numra atomii din caten n timp ce tragem se ine apsat tasta TAB.

Dac se dorete nchiderea atomilor ntr-un ciclu, se trage o linie ntre atomii ce urmeaz s se nchid n

ciclu i apoi click pe Clean StructureCum se reprezint legturile duble i triple (Structure mode)

Se d dublu sau triplu click pe legtura simpl format anterior.

Cum se reprezint legturile stereo, coordinative i cele speciale (Structure mode)

1. n Structure toolbar, activeaz tipul de legtur dorit:

click Up Stereo Bonds ,

click Down Stereo Bonds ,

select any of the coordinating bonds by clicking the white triangle on the Coordinating Bonds , or

select any of the special bonds by clicking the white triangle on the Special Bonds .

How to attach a Markush bond to a structure or structural fragment

ACD/ChemSketch allows you to attach a Markush bond to a structure or selected structural fragment:1. Deseneaz o structur.2. On theAtomstoolbar, select the element you want to connect by a Markush bond.3. If necessary, select a part of the structure you want to connect the Markush bond to, using the Select/Move

orSelect/Rotate/Resize tool.4. Depending on the Markush bond type you want to apply, perform one of the following steps:

5. Click eitherMarkush Bond orMarkush Bond with Shadow . The selected element connected by the

Markush bond appears. If you have selected the latter ( ), the fragment the Markush bond is attached to is

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highlighted in a fashion selected underMarkush Shadow in the Preferences dialog box (Structure tab);OR

ClickMarkush Bond with Added or Removed Fragment . In the Define Markush Mass Difference dialogbox that appears, specify the proper settings, and then click OK.

6. Repeat steps 2 to 4 to add another Markush bond, if required. If you attach two or three Markush bonds withshadows, you can set a different highlighting for each bond.

Notes:

If no portion of the structure is selected, a warning message appears asking you whether to attach aMarkush bond to the whole structure. ClickYes to attach the Markush bond to the entire structure. Click Noto deactivate the Markush Bond tool and return to the structure.

If you wish to perform a substructure search for structures with a Markush bond, you should pay moreattention to choosing atoms which you want to participate in Markush binding.

Cum s reprezini o reacie sau o schem de reacii

1. Draw (sau alege din templates) structurile necesare.

2. Click plus sign button pentru a separa componenii reaciei.

Cum se selecteaz/deselecteaz obiectele (Structure mode) select atom, legtur, sgeat de reacie/plus, sau obiect creat n Draw mode

1. Din Structure toolbar, clickSelect/Move(selecteaz/mut) pentru a activa instrumentul corespunztor.2. Click pe un atom , legtur sau formul apare un dreptunghi punctat n jurul acestuia.

Note: selecteaz o structur complet

Click n spaiul din jurul structurii pe care vrei s o selectezi, dar n-o atinge. selecteaz un fragment

1. PeStructure toolbar, click Select/Move pentru a activa instrumentul correspunztor .

2. Click Lasso On/Off3. Selecteaz fragmentul dorit..

Not: Pentru a selecta mai multe fragmente n acelai timp, ine apsat tastaSHIFT n timp ce selectezi.

selecia tuturor structurilor deodat :

Din Edit, alege Select All (sau CTRL+A).

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DinStructure toolbar, click Select/Move click o dat sau de 2 ori n spaiul gol din jurul structurilor,innd apsat n acelai timp tasta SHIFT .

deselecteaz o structur din mai multe structuri selectate:Click n spaiul gol din jurul structurii innd apsat n acelai timp tasta SHIFT .deselecteaz toate structurile selectate: Click n spaiul gol din jurul structurii .

How to move objects (Structure mode)

In the Structure mode, with theSelect/Move tool active, you can:

move an atom or a bond1. Point to the atom or bond you want to move so that it is surrounded with a rectangle.2. Drag the atom or bond to a new position.Tip:

If you want to replace an atom with another one or attach a drawn fragment to an atom, drag the desiredatom or fragment so that it is placed over the atom you want to replace or add to and release the mousebutton.

move a structure or fragment

1. Select a fragment or structure that you want to move.2. Point to any selected atom or bond so that the hollow squares become black.3. Drag the selected structure or fragment to a new position. move leaving a copy of the selected structure or fragment behind

Hold down CTRL while dragging. constrain the objects movement

If you hold down SHIFT while moving, the movement of the selected object will be constrained to the X- orY-axis.

To move the selected atom or structure according to the grid, from the Options menu, choose Snap OnGrid. To toggle the snap-on-grid constraint, hold down or release SHIFT+CTRL while moving.

Notes:

If the Informative Cursorcheck box in the Preferences dialog box (General tab) is selected, the new

objects co-ordinates (relative to its original location) will be displayed. When you work in the Structure mode, in the Preferences dialog box (Structure tab), select the Select

Graphics check box to be able to select and move the objects created in the Draw mode as well as reactionpluses and arrows.

Cum s desenezi linii, linii frnte i poligoane (Draw mode) s desenezi o linie

1. nDrawing toolbarLine .2. Pentru a desena o linie dreapt se ine apsat tasta CTRL s desenezi o linie frnt

1. n Drawing toolbarPolyline2. Puncteaz locul de unde vrei s porneti i locul unde vrei s ajungi3. Pentru a opri reprezentarea se d dublu-click sau click-dreapta

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sau

Deseneaz cu Line . liniile pe care vrei s le conectezi le selectezi innd apsat tasta SHIFT dinObject menu Connect Lines.

s desenezi un poligon

1. n Drawing toolbarPolygon

2. Draw the polygon segment by segment as described above for broken line drawing (steps 2-4). Note that inthe process, you will see the line connecting the first node and the latest set down node.Tip:

You can obtain a polygon from the drawn broken line. On the Node toolbar, click Connect Vertices toconnect the ending nodes of a line.

3. To stop drawing a polygon, double-click or right-click.Notes:

To change the size of drawn lines and polygons, resize them with the Select/Move/Resize tool active.

To change the shapeof a drawn broken line or polygon, use the Edit Nodes tool .

ACD/ChemSketch also allows you to drawcurvesand curved shapes.

How to draw rectangles / rounded rectangles and squares / rounded squares (Draw mode)

You can draw rectangles and squares using theRectangletool , rounded rectangles and rounded squares using the

Rounded Rectangletool .

To draw a rectangle / rounded rectangle:

On theDrawing toolbar, click Rectangle orRounded Rectangle to activate the corresponding tool,and then drag in the workspace.

To draw a rectangle / rounded rectangle from the center out: Hold down CTRL as you drag.To draw a square / rounded square: Hold down SHIFT as you drag.To draw a square / rounded square from the center out: Hold down SHIFT and CTRL as you drag.Notes:

To change the height and/or width of a drawn rectangle/rounded rectangle, resize it using the

Select/Move/Resize tool .

Tochange the radius of the rounded rectangle corners, use the Edit Nodes tool

How to draw arcs (Draw mode)To draw different types of arcs, follow the steps:

1. On the Drawing toolbar, click the bottom right triangle of the Arc button to choose the desired type of the

Arc tool2. Drag in the workspace until an arc of the desired size is drawn.When drawing arcs, note the following:

You can draw an arc centered at the starting position of the mouse pointer by holding down CTRL whiledragging.

To constrain the arcs angle regarding the X-axis to 15 increments, hold down SHIFT while dragging.

To change the radius and the length of a drawn arc, select it and resize using the Select/Move/Resize tool

.

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To change the drawn arc length, select it, activate the Edit Nodes tool , and then drag any node.

How to draw arrows (Draw mode)You can draw arrows or apply arrow heads to drawn linear objects (lines, arcs, curves, polylines).

To draw an arrow:

1. On the Drawing toolbar, clickArrow .2. On theArrowstyle panel that appears, specify the style of an arrow.3. Choose the shape of the arrow body (line, arc, curve, polyline) by clicking the corresponding button on the

Drawing toolbar.4. Point to the starting position of the arrow (the tail end of the arrow) and drag to draw the arrow.Notes:

You can draw an arrow centered at the starting position of the mouse pointer by holding down CTRL whiledragging.

To constrain the arrows angle regarding the X-axis to 15 increments, hold down SHIFT while dragging.To apply an arrowhead to a linear object:1. Select the linear object (line, arc, curve, or polyline) using any selection tool.

2. On the Drawing toolbar, clickArrow .3. On theArrowstyle panel, specify the style of an arrow and click Apply.How to draw ellipses and circles (Draw mode)

You can draw ellipses and circles using the Ellipse tool.

To draw an ellipse:

On theDrawing toolbar, click Ellipse to activate the corresponding tool, and then drag to draw an ellipse.To draw an ellipse from the center out: Hold down CTRL as you drag.To draw a circle: Hold down SHIFT as you drag.To draw a circle from the center out: Hold down SHIFT and CTRLas you drag.Notes:

To change the size of the drawn ellipse or circle, use the Select/Move/Resize tool . To be able to change the shape of the ellipse or circle, first, convert it to a polyline using the Convert to

Polyline command and then reshape it using the Edit Nodes tool

How to draw brackets /parentheses / braces (Draw mode)To draw brackets, parentheses, or braces, follow the steps:

1. On the Drawing toolbar, click on the lower triangle of the Brackets button to choose among the brackets

types:

2. You can proceed with one of the following: point to where the brackets/parentheses/braces should start and drag until they are of the desired size. to include any object within the brackets/parentheses/braces, point to this object so that the

brackets/parentheses/braces appear and click.

Tips: To draw brackets/parentheses/braces centered on the starting position of the mouse pointer, hold down

CTRL while dragging.

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To change the size of drawn brackets/parentheses/braces, resizethem with the Select/Move/Resizetool active.

To change the shapeof drawn brackets use the Edit Nodes tool.

How to draw curves and curved shapes (Draw mode)

In this topic, you will learn how to: draw a curve of definite shape

1. On the Drawing toolbar, click Curve .2. Point to the starting position of the curve and drag to draw a curve of the desired size and at the desired angle

to the X-axis.Tips:

To draw a curve centered at the starting position of the mouse pointer, hold down CTRL while dragging. To draw a curve at an angle multiple to 15 regarding the X-axis, hold down SHIFT while dragging.

draw a free-shape curve

1. On the Drawing toolbar, click Polyline to activate the corresponding tool.

2. Point to the starting position of the curve.3. Press and hold down the left mouse button. A node indicating the start point of the curve appears.4. Drag to the desired location (do not release the mouse button, otherwise you will begin drawing a strait line). As

you drag, the control line stretches from the node. The length of the control line determines the height or depthof the curves segment. The angle of the control line determines the slope of the segment.

5. Release the mouse button to fix the control point at the desired position.6. Move the mouse pointer to shape the curve segment as desired.7. Point to the ending position of the curve segment, then press and hold down the mouse button. The second

node is set down.8. Drag to stretch out the control lines that will change the form of the previous segment and determine the height

and slope of the next curve segment. Release the mouse button.

9. Repeat steps 6 and 7 as many times as required to draw the desired curve.10. To stop drawing a polyline, double-click or right-click. draw a curved shape

1. On the Drawing toolbar, click Polygon .2. Draw the shape segment by segment as described above for free-form curve drawing (steps 2-9). Note that in

the process you will see the line connecting the first node and the latest set node.3. To stop drawing a shape, double-click or right-click.Notes:

To change the size of the drawn curves and shapes, use the Select/Move/Resize tool.

To change the shapeof the drawn curves and shapes, use the Edit Nodes tool.ACD/ChemSketch also allows you to drawlines,broken lines, andpolygons.

How to draw callout (Draw mode)To draw callout, follow the steps:

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1. On the Drawing toolbar,.click the lower white triangle of the Callout button and select the desired type ofcallout:

2. Proceed with one of the following: point to the starting point of a callout and drag until the callout is of the desired size; to include an object in a callout, point to the object so that the callout appears around it and click.

Tips: To draw a callout centered on the starting position of the mouse pointer, hold down CTRL while dragging.

To change the size of a drawn callout, use the Select/Move/Resize tool.

To change the shapeof the drawn callout, use the Edit Nodes tool.

How to shape objects (Draw mode)ACD/ChemSketch allows you to reshape the drawn objects:

1. Select the object you want to reshape.

2. On the Editing toolbar, click Edit Nodes to activate the corresponding tool and to display the Node

toolbar. When this tool is active, the selected object has hollow squares ( nodes) at its ends and/or vertices.3. By moving nodes and control points and using tools from the Node toolbar, reshape the object.To select the nodes, do one of the following:

Point to the node so that the black arrowhead appears and click. The selected node becomes black. To selectseveral nodes, hold down SHIFT while clicking the nodes.

Drag from an empty workspace until the nodes you want to select are within the rectangular selector box.To unselect nodes:

Click in the empty workspace.Notes:

When you select a node of a curved object (one drawn with the Curve ,Polyline , orPolygontool), thecontrol points appear. They extend from the nodes along a curved line and define the angle atwhich the curve passes through the node.

Nodes- the points at the ends of line and curve segments in acurve object.Control points- the points extending from nodes along a curveobject that determine the angle at which the curve passes throughthe node. Control points appear when you select a node. Nodesassociated with straight lines do not have control points.

To be able to edit a form of objects that are not curves (drawn with theArc , Rectangle ,Rounded

Rectangle ,Ellipse , andCallout tools) with the help of control points, you should previouslyapplyConvert to Polylineto them.

How to select/deselect objects (Draw mode)

Make sure that you are in the Draw mode, select the object(s) in the following ways:To select object(s) by dragging:

1. On the Editing toolbar, click eitherSelect/Move/Resize orSelect/Move/Rotate to activate thecorresponding tools

2. Point to the starting position of your selection ( outside all the objects to be selected) and drag to include theobject(s) in the selector line. The selected object(s) is surrounded with selection handles.

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To select object(s) by clicking:

Point to the desired object and, as a rectangle appears around it, click. To select several objects, hold downSHIFT while clicking them.To select all of the objects: From the Edit menu, choose Select All(or press CTRL+A).To deselect an object from several selected objects: Point to the desired object holding down SHIFT and, as a rectangle appears around it, click.To deselect all of the selected objects: Click in the empty workspace.

How to move objects (Draw mode)To move an object:

1. On the Editing toolbar, choose either the Select/Move/Resizetool or the Select/Move/Rotatetool .2. Point to an object so that a rectangle frames it.3. Drag the object to a new location and release the mouse button.To move an object leaving its copy behind:

While moving, hold down CTRL.To move an object horizontally or vertically:

If you hold down SHIFT while moving an object, the object is forced to move vertically or horizontally relativeits original location.

Notes:

Prior to moving a group of objects you should select them all. If the Informative Cursorcheck box in the Preferences dialog box (General tab) is selected, the new

objects co-ordinates (relative to its original location) will be displayed.

How to resize objects (Draw mode)In the Draw mode of the ChemSketch window, you can resize objects in the following way:

1. Select the object(s) you want to resize. Note that the selected object is surrounded with selection handles:

2. On the Editing toolbar, click Select/Move/Resize to activate the corresponding tool.3. You can proceed in one of the following ways:4. Point to any corner selection handle so that a two-way arrow appears, and then drag. The selected object will

be resized proportionally in all directions relative to its opposite corner. If you hold down CTRL while dragging, the selected object will be resized relative to the objects center. If you hold down SHIFT while dragging, you can disable proportional resizing of the selected object and

change its height and width independently. If you hold down SHIFT+CTRL while dragging, you can resize the selected object independently in height

and width relative to its center.5. Point to any side selection handle so that a two-way arrow appears, and then drag. The selected object will be

resized only in height or width relative to its opposite side. If you hold down CTRL while dragging, the selected object will be resized relative to its center. If you hold down SHIFT while dragging, the selected object will be resized proportionally to 5%. If you hold down SHIFT+CTRL while dragging, you can resize the selected object proportionally to 5%

relative to its center.

6. Release the mouse button when the object is of the desired size.Note:

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If the Informative Cursorcheck box in the Preferences dialog box (General tab) is selected, thepercentage of resizing will be displayed by the cursor

How to rotate objects (Draw mode)In the Draw mode of the ChemSketch window, you can rotate objects in the following way:

1. Select the object(s) you want to rotate. Note that the selected object is surrounded with selection handles:

2. On the Editing toolbar, click Select/Move/Rotate to activate the corresponding tool.3. Point to any selection handle so that the rounded arrow appears instead of the cursor.4. Drag the object clockwise or counter-clockwise. Accordingly, the selected object is rotated in the specified

direction relative to its center.5. Release the mouse button when the object is in the desired position.Notes:

If the Informative Cursorcheck box in the Preferences dialog box (General tab) is selected, the angle ofrotating will be displayed by the cursor.

If you hold down SHIFT while dragging, the object will be rotated at the angle multiple to 15 regarding theX-axis.

Inserarea unui text (Draw mode)

1. nDrawing toolbarText button pentru a alege tipul de Text :2. Click pe spaiul unde vrei s inserezi textul apare text box -ul3. Scrie textul4. Edit the input text using the buttons on the Text toolbar.5. Click outside the text box or right-click in the workspace to complete your work.Notes:

You can change the width of the text box by dragging its borders.

Once the text is in the workspace, you can use the Edit Text tool toc hange its font and paragraphattributes.You can also edit the text formatting by using the Objects Panel dialog box.

How to edit text (Draw mode)To edit the text you have previously typed, follow the steps:

1. On the Editing toolbar, click Edit Text . Note that the Text toolbarappears.2. Point to the text you want to edit so that it is surrounded with a rectangle.3. Click the text. The box around it appears.

4. Edit the text using any tools from the Text toolbar.5. Click outside the editing box to complete your task.Tip:

You can also edit the text formatting by using the Objects Panel dialog box.

Cum s inserezi un tabel (Draw mode)

1. Drawing toolbar Table trage cursorul n spaiul de lucruInsert Table dialog box selecteaznumrul de coloane i rnduri OK

-SAU-Click n spaiul de lucru apare un tabel standard format din 2 coloane i 2 rnduri

3. Edit the table and insert objects into its cells.Notes:

The default style for drawing tables, can be specified on the Table panel. As you drag in the workspace when inserting a table, you outline a box you can manipulatelater.

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To disable the Tabletool, right-click in the workspace.

How to edit a table (Draw mode)After you have inserted a table, you can edit it using:

The mouse; The Table toolbarthat is displayed on the Editingtoolbar when a table or any of its elements is selected in the

workspace; The Table Objectspanel; or A combination of those.

Below you can find the basic editing means: to change column and row size

Ensure that theTable tool is active (click to enable it). Point to a column or row separator or to a crossingpoint of these so that the two-way arrow appears, and then drag in the required direction.

to add columns or rows

Ensure that theTable tool is active (click to enable it). Point to a top or bottom border of a column so thatthe thick black arrow appears, and then click to split the pointed column into two. To split a row, point to itsouter border either from the left or from the right, and then click. Note that using this way, the column and rowsare split at the point where the arrow as placed.-OR-Add a column/row to the right of/under the selected one. Ensure that the Table tool is disabled (right-click in

the workspace if it is enabled). Select the required column/row by clicking, and then click Add Column or

Add Row on the Table toolbar. Note that using this way, you can insert the rows and/or columns of thesize as that of the selected element.

Tip:

Similarly, using Delete Column and Delete Row , you can delete a column or row. to make columns/rows' width/height equal to a certain number

Ensure that theTable tool is disabled (right-click in the workspace if it is enabled). Select a cell in each of two

or more columns/rows that you want to equalize, and then click either ofEqualize Width orEqualize

Height on the Table toolbar). In the Column Width/Row Height dialog box, type the appropriatenumber, and then click OK.

to fit a table into several boxesYou can represent a table as a set of boxes that contain parts of the table. If table rows do not fit into one box,they are moved to next box(es) intended for this table. Double-click anywhere in the table to display the TableObjects panel, and then, on the Box tab, underRows, select Move to Next Box. To add a box or copy anempty box for the rest of the table, swap the contents of the boxes, use the corresponding buttons on theTable toolbar.

How to insert and remove objects from table cells (Draw mode)After you have created a table, you can insert and remove objects into/from its cells:

1. To insert various objects into table cells: Drag the selected object(s) into a cell. The objects will be inserted as in is specified on the Table ObjectsPanel (Cell tab).

-OR- Select the object you want to insert into a cell, and then select the appropriate cell. On the Editing toolbar, click

Group2. To remove objects from the table: Click the cell from which you want to remove the contents to select it, and then drag the contents outside the

table.

How to set a new default style for objects (Draw mode)

ACD/ChemSketch applies the default style attributes to all new objects. In the Draw mode, you can change the defaults eitherby setting other existing styles as the default or by changing the default style attributes on any of the Pen, Fill, Arrow, Font,

Paragraph, and Table panels.Click here to display procedures how to:

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set an existing style as default1. From the Tools menu, choose Style Organizer Panel to display the Style Panel.2. From the list of styles, choose the desired style.3. Click Set Default. change the default style attributes1. From the Tools menu, choose the command(s) displaying the panel(s) corresponding to the attribute you want

to change and to set as default.2. Make the necessary changes to the panel(s) appeared, then close the panel(s) or click Apply to apply new

defaults to the selected object(s). copy style attributes from a drawn object1. From the Tools menu, choose the command(s) displaying the panel(s) that corresponds to the attribute you

want to change.

2. On the panel, click Update From. The cursor becomes an arrow labeled From .3. Click the object whose style attribute you want to copy and set as default.4. Now apply the attributes to the desired objects by selecting them and clicking Apply or save as a style by

clicking Save.The specified default style will be applied to all the objects drawn from this point on.

How to create a user-defined style (Draw mode)A style is a set of certain attributes: pen, arrow, fill, font, paragraph. If you often use a particular set of attributes, you can make

it easier to apply them to objects by saving them as a user-defined style.To create a style based on the specific object:1. Double-click the object on which you want to base a new style.2. On the Objects Panelthat appears, click Save As New Style.3. In the Save User Style dialog box that appears, choose which of the selected object's attributes are to be

included into the style.4. Type a name for the style and click OK.To create a style based on the current default style attributes:1. If necessary, specify new default style attributes.2. From the Tools menu, choose Style Organizer Panel.3. On the panel that appears, click New.4. In the Save User Style dialog box, select the attributes you want to be included in the new style.5. Type a name for the style and click OK.Note:

Your style will be added to the list of styles on the Style Panel.How to search for a structureACD/ChemSketch allows you to search for a specific structure or structures in the files without opening them.

1. Draw a structure or structures that you want to find. If there are more than one structure drawn in theworkspace, select the one(s) you require.

2. On the General toolbar, click Search for Structure to display theACD/Search for Structure window.3. In the Look In area, specify the folders to be searched through, choose the types of files to be searched and

set file masks, if needed.4. Click Options and, in the Search Options dialog box that appears, customize the search options if necessary.

Click OK.

5. To start search, click Search. As the search proceeds, the files where the query structure is found aredisplayed in the Search Results area. You can stop the search process at any time by clicking Stop retainingthe results obtained so far.

6. To view the structure found by your query, click in the list of found files. The structure is displayed in thePreview area.

7. To open the found structure either with ACD/ChemSketch or with any other corresponding application(depending on the option selected on the Opentab of the Search Options dialog box), click Load below thePreview area.

8. To save the search results, as well as the query structure and folder settings, click Save.

How to generate the structure from a name (ACD/Name to Structure)ACD/ChemSketch allows you to generate a structure from a name both in Draw andStructuremodes. You can use one of the

following ways: generating from the dialog box1. On the Tools menu, point to Generate, and then choose Structure from Name.

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2. In theACD/Name to Structure dialog box that appears, type the name or choose the one in the Name box (inthis box, the names for which the structures have been generated earlier are placed).

3. Click Options and, in theACD/Name to Structure Options dialog box that appears, specify the required optionsfor structure generation, and then click OK.

4. Click Run. The generated structure (if any) will be displayed on the Structure tab; in case several structuresare generated for your query, each of them is displayed on a separate tab.

generating from the ChemSketch window1. Copy the needed name from any text editor and paste it into the ChemSketch window. Make sure that the text

box containing the name is selected.

2. On the General toolbar, click Generate Structure from Name . If the structure is successfully generatedwithout any warning messages, it is automatically pasted near the name, otherwise, theACD/Name toStructure dialog box appears.

As soon as the structure is successfully generated, clickCopy and paste the structure in the workspace. Note that prior topasting, you can flip the structure shadow by pressing the TAB key.Note:

For the samples of allowed names, refer to theACD/Name to Structure. General information topic.

Radical Labels buttons

The Radical Labels buttons enable the set of tools allowing you to to replace atoms with different radical

labels. If you click the bottom right triangle of the button , it will be expanded into more buttons:

Choose the desired radical label and click the atom to replace it with the label.Note:

If the Radical Label button is missing on theAtoms toolbar, click the bottom white triangle of the Pseudo

Atombutton , and then, on a set of tools that appears, click the desired button to display it.

Solid / Dotted Delocalization Curve buttonsThis set of buttons allows you to draw solid or dotted curves indicating the delocalized chemical bonds.

Clicking the right bottom triangle of the button displays the following buttons:

To insert the delocalization curve, draw the structure or select the fragment (or structure) for which youwant to insert a curve, and then click any of these buttons. The curve will automatically appear.

Important: To apply this option, the selected fragment should contain at least two bonds and no branchings. Otherwise

the corresponding warning message will appear. Note that query, triple and quadruple bonds are not allowed

in delocalization.After you apply this option, the action center is displayed which is not visible while printing. You can

place it wherever you need by dragging at the desired location.It is possible to drag an atom or bond in the selected fragment in the workspace. Any new bond can be

drawn from the center by clicking and dragging.If necessary, you can change an atom in the selected fragment, the curve is not deleted at that. To delete

the delocalization curve, select the action center by clicking it and press DELETE. The curve will be also

removed if you change the bond type in the structure.The charges or radical particles present in the structure will be moved on the action center after you click

any of these buttons ( ). Note that you can also set charge or radical particle on the action center

manually; on the Atoms toolbar, click the required Charge/Radical Particles button, and then click theaction center.

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Radical Particles tools

To make one of these tools active, click the bottom right triangle of the Charge/Radical Particles buttonthat is active by default. It will be expanded into more buttons. Three of them are described below.

Using the Radical tool you can create radicals. The subsequent clicking the atom with this tool active changesthe atom to:

monoradical, for example ,

singlet biradical, for example ,

triplet biradical, for example .

Using the Positive Radical Ion tool you can create positive radical ions, for example . To dothis, click any atom with this tool active.

Using the Negative Radical Ion tool you can create negative radical ions, for example . To dothis, click any atom with this tool active.

Note:

Right-clicking in the workspace with any of the aforementioned tools active switches between them.

Polymers button

This button enables the Polymers tool allowing you to turn a structure or fragment into a polymer easily.Clicking this button displays the Polymer panel where you can specify the required options.The panel contains the following options:

Option Description

Index In this box, specify the index for your polymer (any number or letter). As you clickApply,

it will appear at the lower right corner of the right bracket.

Connectivity In this box, select the way the units are connected in your polymer: head-to-tail, head-to-head, oreither\unknown.The default se

tting is head-to-tail so the upper right corner of the right bracket is empty, while head-to-

head, or either\unknown types produce 'hh' and 'eu' respectively.

Style Select the way your polymer will look: in brackets [ ], in parenthesis ( ), or in braces { }.

Apply Click this button to apply the defined parameters to the selected polymer.

To draw a polymer:

1. Draw one or more structures you want to turn into a polymer.

2. On the Structure toolbar, click Polymers and, on the Polymerpanel that appears, specify the requiredsettings.

3. Select the area you want to turn into a polymer either by clicking or by dragging. Note that you can turn theentire structure or part of two structures into one polymer only by dragging.

As soon as the area is selected, the polymer appears in the workspace.

Tip: When drawing polymers, for your convenience only, hold down CTRL when clicking/dragging with theDraw

Normal , Draw Continuous , orDraw Chains tools. Each of these combinations allows you todraw a bond at an angle of 180 to the existing bond rather than 120 (created when CTRL is not pressed);

thus creating more customary-looking structures. To create end-open structures, replace the end atoms in a drawn polymer with empty atoms using the

Pseudo atom tool.To edit a drawn polymer:

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Click again, and then click one of the brackets to select the polymer. Change your settings in thePolymerpanel and click Apply.

How to expand formulae to structures (Structure mode)There are two ways to expand a formula (i.e., represent it as a structure).

Using the Edit Atom Label tool:

1. On theAtoms toolbar, clickEdit Atom Label to activate the corresponding tool2. Click the atom you want to be replaced. This will display the Edit Labeldialog box.3. In the dialog box that appears, you can either type the label or choose the needed label from the Label box.

(Note that you can find conventions for label expanding in the EXPAND.TXT file.)4. Click Expand, and then right-click in the workspace to disable this tool.Using the Expand Shorthand Formulae command:1. Select the needed structural fragment or structure.2. From the Tools menu, choose Expand Shorthand Formulae.Note:

If no structure(s) or fragments are selected, this command affects all of the drawn structures on the currentpage.

This command works only if a structure contains labels conforming to the conventions for label expanding.

Expand Shorthand Formulae commandThis command expands a label based on the shorthand formula inserted with the help of the Edit Atom

Label tool .Select the label you want to expand and choose this command. If no structure(s) or fragments are

selected, this command affects all of the drawn structures on the current page.The following symbols are acceptable by this tool:

'~' (tilde) - negative charge'+' (plus) - positive charge'-' (minus) - single bond (can be omitted)'=' (equal sign) - double bond'%' (percent) - triple bond'( )' (brackets) - embrace a group of atoms

You can find conventions for label expanding in the EXPAND.TXT file. The left column in this file

contains notations supported by the Expand tool. It is not recommended to modify this file.Shortcut:

Keyboard: CTRL+SHIFT+F

Add Explicit Hydrogens command

This command adds explicit hydrogens to the selected fragment or structure. If there is no selection in the

working area, explicit hydrogens are added to all of the structures drawn on the current page.To remove explicit hydrogens, from the Tools menu, choose Remove Explicit Hydrogen.

Note:

If you choose to optimize the structure with explicit hydrogens in 3D, you are asked whether to removeexplicit hydrogens before 3D optimization. Even if you chooseYes, hydrogens may still appear in the 3Doptimized structure if the Add Hydrogens option in the Preferences dialog box (Structuretab) is selected.

Shortcut:

Keyboard: CTRL+SHIFT+Y

Remove Explicit Hydrogens command

This command hides explicit hydrogens from the selected fragment or structure. If no structure(s) or

fragments are selected, explicit hydrogens will be removed from all of the drawn structures on the current

page.To add explicit hydrogens to a structure or fragment, from the Tools menu, choose Add ExplicitHydrogens.

Shortcut:Keyboard: CTRL+SHIFT+R

Show Aromaticity command

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This command transforms the conjugated double bonds into the delocalized double bonds in aromatic

rings of the selected structure(s) or fragment(s) or, if no selection is made, in aromatic rings of all thestructures on the current page.

Note: To remove the aromatic circles, from the Tools menu, choose Hide Aromaticity.

Shortcut:

Keyboard: CTRL+SHIFT+A

Reaction Arrow Labeling buttonThis button enables the tool allowing you to insert labels that specify the appropriate reaction conditions.

To insert reaction conditions, with this tool enabled, click the reaction arrow. In the Edit ReactionConditions dialog box that appears, type your own comment or click several buttons from the conditionsset on the right side of the dialog box.The dialog box contains the following options:

Option Description

Cuts the selected text and places it to the Clipboard.

Copies the selection to the Clipboard.

Inserts the contents of the Clipboard at the insertion point or, if a string is selected,replaces it.

In this box, you can specify the appropriate font style.

In this box, you can specify the size of the font.

Formats the selected text with bold. Click this button again to cancel formatting with bold.

Formats the selected text with italic. Click this button again to cancel formatting with

italic.

Underlines the selected text. Click it again to cancel underlining.

Formats the selected text with superscript.The superscript button is automatically enabled when you type a formula in any of the

panes. For example, atom charge is automatically turned into superscript.

Formats the selected text with subscript.

The subscript button is automatically enabled when you type a formula in any of thepanes. For example, the atom number index is turned into subscript.

Aligns the text left.

Centers the text.

Aligns the text right.

Upper Pane In this pane, you can specify the conditions for the reaction; the conditions will be placedabove the reaction arrow.

Lower Pane Click in the lower pane and then type or select conditions specific for the reaction to placethem below the reaction arrow.

Inserts the h symbol (lighting) at the insertion point or, if a string is selected, replaces it.Inserts the symbol (heat applied) at the insertion point or, if a string is selected, replacesit.

Inserts the t symbol at the insertion point or, if a string is selected, replaces it.

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Inserts the C symbol at the insertion point or, if a string is selected, replaces it.

Inserts acid as your reaction condition at the insertion point or, if a string is selected,replaces it.

Inserts base as your reaction condition at the insertion point or, if a string is selected,replaces it.

Notes: If a variable formatting is applied to the text currently selected in any of the panes, the corresponding

formatting buttons acquire a so called indeterminate state . These buttonsare still available.

If you export the Reaction Conditions set through the Reaction Arrow Labeling tool into an .RXN file, thepreviously specified conditions will be lost.

Reaction Calculator button

This button enables the tool allowing you to automatically calculate synthesis data for each reactioncomponents.

To calculate data, with this tool enabled, click the reaction arrow; the Reaction Calculator dialog box

appears. It contains the Components table with the following columns: molecular formula and formulaweight (these columns are filled in automatically), stoichiometric coefficient (K), quantity (n), concentration(C), mass (m), volume (V), density (d), as well as yield of products (Yield).

Note: To provide the automatic calculation of the reaction data, the data is divided into two types - independent

and relative. You can edit the independent data only. The relative data is automatically calculated on thebasis of the editable data and cannot be edited.

To edit the reaction data,double-click the corresponding cell directly within the Components table, and then type thedata value. After you press ENTER, all of the relative data is automatically calculated. (To provide the calculation of mass andquantity, you need to type the density value.)

Note that the Yield is always relative and its calculation is based on the component with the lowestamount. To calculate yield, double-click the cell corresponding to the product underm (mass) and type

the proper value, then press ENTER. You will see that the yield is calculated and the "Based on" notationappears underYield in the row corresponding to the reactant with the lowest amount.To display the summarized quantity of the reactants, select the Show Total check box under theComponents table.Clicking OKcloses the Reaction Calculator dialog box and pastes the filled in Components table in theChemSketch page.

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