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MOLDEN: A Portable Electron Density Program

by Gijs Schaftenaar,Caos/Camm Center,Faculty of Science,University of
Nijmegen,P.O. Box 9010,6500 GL Nijmegen,The Netherlands

MOLDEN is a package for displaying Molecular Density from the Ab Initio
packages GAMESS* and GAUSSIAN (* referred to here is the european 
version of GAMESS maintained M.F. Guest et al, not to be confused with
the american version maintained by M.W. Schmidt et al). MOLDEN reads all
the required information from the GAMESS/GAUSSIAN outputfile. 
MOLDEN is capable of displaying Molecular Orbitals, the electron density
and the Molecular minus Atomic density. Either the spherically averaged
atomic density or the oriented ground state atomic density can be 
subtracted for a number of standard basis sets.
MOLDEN supports contour plots, 3-d grid plots with hidden lines and a
combination of both. It can write a variety of graphics instructions;
tekronix4014, hpgl, postscript, XWindows, hp2392 and Figure. For the
Silicon Graphics there is a version taking advantage of the 4D Graphics
library. 
The X-window version of MOLDEN is also capable of importing and displaying
of chemx, PDB, and a variety of mopac/ampac files.

Lines of Code: 7200,834
FORTRAN 77,C (VAX,SUN,CONVEX,APOLLO,DEC/Ultrix,IRIS,Cray-YMP/Unicos
              HP,RS6000,DEC Alpha)

Modified: Wed Feb 7 17:00:00 1996 GMT
Page accessed 5132 times since Sat Apr 17 21:34:45 1999 GMT