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Viewing 3D Structures 使用指南(9)

时间:2005-08-10 00:38来源:本站原创 作者:adsony05 点击: 2202次

http://www.rtlsoft.com/animagic

and installed on your PC.

An animated GIF file can be created by linking, in succession, one "still" or “snapshot” GIF image after another.  Each still GIF contains nearly the same image as the previous GIF, but changed just enough to give the human eye the illusion of movement when one GIF is shown after the other.  Good animation software will optimize the linkage so that the size of the overall animated GIF will be as small as possible.

The export of a ChemSketch or 3D file to GIF format is straightforward.  A set of these GIFs is used as input to a special GIF-animator program, which will output the moving image (after some editing and optimization) to the animated GIF format.  We go through these steps in detail below.

4.2     Step-Wise Motion in ACD/3D Viewer

We will start with a very simple structure—butane—that is easy to draw and process.

1.    In the ChemSketch Window, Structure mode, draw butane:

2.    Click the Copy to 3D button on the Window Switching bar.

3.    In the 3D Window click the 3D Optimization button  to optimize the structure.

4.    Switch to the Balls and Sticks view () and click the Increase Atom’s Radii button  several times to make the atoms more prominent.

5.    From the Options menu choose the Colors… command and in the Element section of the dialog box set the green color for Hydrogen and blue color for Carbon.  In the Background section choose White.  You should obtain something like the following:

6.    Now copy the molecule to the Clipboard by choosing Copy from the Edit menu.

7.    Switch to the ChemSketch Window by clicking the  button.

8.    If there is anything drawn in the current page, create a new page by clicking .

9.    Press CTRL+V to make a fast paste of the image from the Clipboard.  Click in the workspace to place the image.

10. Switch back to the 3D Window by clicking  and slightly rotate the structure by dragging over it.

11. Again, copy the structure to the clipboard, switch to the ChemSketch Window, create a new page and paste the structure.

12. Repeat the steps above until your structure appears in the same position as it was at the first step.

Tip     To make structure rotate strictly horizontally and evenly, drag the cursor strictly horizontally and to the same destination each time.

13. Switch to the ChemSketch Window.  As a result of repeated pastes to new pages you should have a document with a series of pages each containing a “snapshot” of the rotating molecule.  You may check the number of pages and switch between them using the Page button on the status bar:

4.3     Fine-tuning the Pictures

If you look through all the pictures, you will notice that the size of each picture is different.  This will affect the final animation and will make it uneven.  If your animation software allows you to change the size of the used gifs and modify their contents, you may skip this section and do the necessary changes in your animation software.  If you are using animation software that does not include these capabilities you may use the Draw mode in ChemSketch to help standardize the image of each snapshot.

1.    Display the page with the biggest picture on it.

2.    In the Draw mode choose the Rectangle tool  and drag over the picture of the molecule so that the rectangle fully includes the molecule.  Release the mouse button to fix the rectangle and click the Send to Back button  to send the rectangle to the background so that the molecule is visible.

3.    Press CTRL+A to select both objects and click the Center Horizontally  and then Center Vertically   buttons.

4.    If you do not want the border of the rectangle to be visible, select the rectangle only and right-click on the left-most crossed section on the Color Palette (above the status bar) to set the border’s color to None.  Left-clicking on any color will change the fill color of the rectangle—this can be useful if you have used any special background color when copying molecules in the 3D Window.

Note       If there is no Color Palette displayed, refer to the View section of General tab in the Preferences dialog box (Options menu).  The Palette check box should be selected.

5.    As soon as the rectangle is of the desired color and size, select it alone and copy it to the clipboard so that you can then simply paste it for other snapshots.

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