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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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

Nice pictures

 

MOLDRAW draws pictures with the actual screen resolution. While they are good enough for interactive manipulation they do not match the quality needed for publication on scientific journals. For that purpose, the interface to the venerable Persistence of Vision  ray tracing program (PovRay at www.povray.org) is provided via the (File--->Export to...--->PovRay). MOLDRAW  export a file with .POV extension in a user selectable directory. The file contains already all the PovRay directive to render the structure with the same graphical representation used in the MOLDRAW session but at a much higher resolution with shadows included (this and other options are set in the MDRAW.INI file).

 

In the following, the Solid representation and the CPK one are shown as a MOLDRAW screens and as the corresponding picture rendered by PovRay.

 

 

 

 


 

 

 

 


 

 

 


 


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