Molden is a general molecular and electronic structure processing program.
Major features
* Reads output from the ab initio packages
GAMESS (US),
Gaussian,
MOLPRO,
PySCF and from semi-empirical packages such as
MOPAC, and supports a number of other formats.
* Displays
molecular orbitals or
electron density
Electron density or electronic density is the measure of the probability of an electron being present at an infinitesimal element of space surrounding any given point. It is a scalar quantity depending upon three spatial variables and is typical ...
as contour plots or 3D grid plots and output to a number of graphical formats.
* Animates reaction paths and molecular vibrations.
* A
Z-matrix editor.
Molden program has been tested on different platforms, namely Linux, Windows NT, Windows95, Windows2000, WindowsXP, MacOSX, Silicon Graphics IRIX, Sun SunOS and Solaris.
Ambfor, the main force field module of Molden, is an external program that can be initialized from Molden. Ambfor admits protein force field Amber and GAFF (General Amber Force Field). Use of Ambfor is automatic when a protein is studied with Molden. The GAFF force field is used only small molecules. Both Amber and GAFF are based on atomic charges. The differences are largely in computational cost, with GAFF being very expensive.
Molden can read several file formats with crystal information.
See also
*
List of molecular graphics systems
*
List of software for molecular mechanics modeling
*
CMBI
References
Molden: a pre- and post-processing program for molecular and electronic structures.
MOLDEN Review
Schaftenaar G, Noordik JH. Molden: a pre- and post-processing program for molecular and electronic structures. J Comput Aided Mol Des. 2000 Feb;14(2) 123-134. doi:10.1023/a:1008193805436. PMID 10721501.
Chemistry software for Linux
Computational chemistry software
Molecular modelling software
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