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Molden

Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK , GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac. 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. The Xwindows version of Molden is also capable of importing and displaying of chemx, PDB, and a variety of mopac/ampac files. It also can animate reaction paths and molecular vibrations. It can calculate and display the true or Multipole Derived Electrostatic Potential and atomic charges can be fitted to the Electrostatic Potential calculated on a Connolly surface.

Current Version:   3.6

License Type:   Free for Non-Profit Use. http://www.caos.kun.nl/~schaft/molden/CopyRight.html

Home Site:
http://www.caos.kun.nl/~schaft/molden/molden.html

Source Code Availability:   Yes

Available Binary Packages:

Targeted Platforms:

IBM AIX, SGI IRIX, HP, Linux, Solaris, SunOS, Ultrix, OpenVMS, Windows NT, OS/2

Software/Hardware Requirements:

None

Other Links:
ftp://ftp.caos.kun.nl/pub/molgraph/molden/ (FTP Site)

Mailing Lists/USENET News Groups:

None

User Comments:

  • None

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