MOLDRAW: a program to display and manipulate molecular and crystalline structures

 

by Piero UGLIENGO  University of Torino - Dipartimento Chimica. Via P. Giuria 7 -10125 Torino. ITALY

MS Windows (Linux & Mac OS X) - 
http://www.moldraw.unito.it  

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Main features  · Topics  · Running on Linux  · Running on Mac OS X  · Useful Web Links  · License agreement

Topics

New structure
Saving
Merging
Perspective
Crystal cell
Crystal box
Manipulation
Gaussian98
CRYSTAL
MOPAC
VASP
Nice pictures
PovRay files
PovRay to AVI
PovRay gallery
Chime structures
Jmol structures
Viewing

From PoVRay files to a movie AVI file


When saving files to be processed by the PovRay program a variety of cases are possible.

 

Single PoVRay structure

 

This is when the user export a structure to PovRay. In this case a single .POV file is written and it can be simply rendered with PovRay. Please follows the PovRay setup by clicking here.

 

 

Multiple files from geometry optimization

 

When the user click the dialog Save POV Files during the visualization of a geometry optimization each structure  resulting either from a Gaussian98 or CRYSTAL03 calculations will be saved as a separate PovRay  file. The same happen when the PovRay seq label is set in the frequency output file from a Gaussian98 or CRYSTAL03 calculations.

 

These files can be rendered in PovRay to give a series of graphic images (usually in the PNG format). 

 

Here the steps needed to transform a series of POV ray files in the corresponding imagines is described.

 


 

1. Launch PovRay and then click the Queue button.

 

 

 

 

2. A menu will be opened and the user should read all the POV files belonging to the same movie by clicking the Add File button and then select all the file (use SHIFT+click on the first and the last file). In this case 20 files each being a structural frame of the normal vibrational mode of alpha quartz vibrating at 532 cm-1 is shown below.

 

 

 

3. PovRay will render all files one after the other in an unattended way. The corresponding PNG graphic files will be created in the PovRay graphical default directory (see this link for details)

 

 

The created graphic files can be arranged in a single movie file by using a variety of third party softwares. Here, the use of Paint Shop Pro 9 and its module Animation Shop (Jasc software) will be illustrated to transform a sequence of graphic files in a single AVI movie. An AVI (Audio Video Interleaved) file is a sound and motion picture file that conforms to the Microsoft Windows Resource Interchange File Format (RIFF) specification. AVI files (which end with an .avi extension) require a special player that may be included with your Web browser or may require downloading. This file can be embedded in Microsoft PowerPoint or rendered directly with Windows Media Player or QuickTime readers.

 

1. Launch Paint Shop 9 and select the (File--->Jasc Software Products--->Launch Animation Shop). Click on the top leftmost icon (the movie wizard) to start reading the graphic files.

 

 

2. Locate and select the needed files, then sort them in the proper order. Then proceed accepting all default values for the various options needed to make the final movie.

 

 

3. A sequence of frames (20 as whole in this case) will be presented. Usually they need to be croped to remove the extra blank area around the structure which is not needed in the final movie.

 

 

4. Drag the cropper until enogh spce is included around each structure and when satisfied double-click to crop each frame in the same way.

 

 

 

5. Once done save the movie (File--->Save as...) in the AVI format. Also choose the Cinepack Codek di Radius  compression algorithm to reduce the size of the final AVI movie. By pressing the Next button the AVI file will be saved on the disk.

 

 

6. Download the final AVI file which shows the normal mode of vibration of a quartz crystal at the 563 cm-1 frequency.

 

 

 


 


 


 


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You are here: Home-Navigate-Topics-Nice pictures-PovRay to AVI

Previous Topic: PovRay files Next Topic: PovRay gallery