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Revision as of 16:06, 15 October 2007 by Gchristian (talk | contribs) (MOLDEN)
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Molden ADFview VMD


GAUSS VIEW

GAUSS VIEW [1]

ADFVIEW

VMD

VMD [2]

ECCE

MOLDEN

Molden is a package for displaying molecular density from the Ab Initio packages Gamess and Gaussian and the Semi-Empirical packages Mopac/Ampac. Scripts have also been written to convert the output from other Ab Initio programs to Molden format (see link below). In addition, the Xwindows version of Molden can import and display chemx, PDB, and a variety of mopac/ampac files and other formats. Molden has a flexible Z-matriz editor which allows full control over the geometry, and structures can be written in several different formats. The program can animate reaction paths and molecular vibrations, and can display molecular orbitals, electron density as contour plots, and 3-D grid plots. There is also an OpenGL version available which generates more user friendly plots via an external helper program. Molden can write a variety of graphics instructions; postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and Figure.

CRYSDEN

P4V

JMOL

Erik is in charge of updating the ADF section

Ata is in charge of updating the NWChem &X Chem edit sections

Eva is in charge of updating Gromacs & Macromodel

Pere is in charge of updating the DLPoly, ADFView & VMD sections

Christophe is in charge of updating the Jaguar section

Alfons is in charge of updating the Macromodel, Maestro & Gausview sections

Mónica is in charge of updating the Crysden section

Jaime is in charge of updating the P4H section

Steven is in charge of updating the Ecce section

Gemma is in charge of updating the Molden section