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
Chime structures
Jmol structures
Viewing
Transform view
Planes
Clipping on Z
Hide planes
Hide circle
Hide sphere
Hide atom types
Display all hidden

Transform view


 

Each structure can be exactly rotated or translated by means of the transform widget which is available under the (View-->Tansform) menu.

 

 

The user can set the roation angle (in the present case is set to 90 degrees) and rotate the structure around X, Y, Z axis in a clockwise (+) and anticlockwise (-) fashion.

 

Similarly, translation is controlled by its amount (in the present case is set to 1 Angstrom) and buttons act consequently.

 

By setting Cont. rotation toggle the rotation continuos, whereas the Save PovRay allows each structure to be dumped as a Pov ray file for subsequent rendering (see this link for details to how render a PovRay structure).

 

Please consider that rotation and translation will act on the selected atoms and fragments only. For further info on selecting atoms and fragments follow this link.

 

This widget is particularly useful for setting crystal view in a very precise and reproducible way.

 

 


 


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