MOLDEN |
Author |
G. Schaftenaar |
Origin |
Centre for Molecular and Biomolecular Informatics, Radboud University Nijmegen, The Netherlands. |
Version |
MOLDEN 4.7 |
Official Web Site |
Brief Program Description |
MOLDEN is a pre- and post- processing program of molecular and electronic structure. It can be used to display molecular density from the ab initio packages, animate reaction paths and molecular vibrations, and many other features. The z-matrix Editor in MOLDEN lets the user create and/or manipulate structures on screen. The final structure can be saved as a z-matrix file or as a variety of Cartesian formats. The z-matrix Editor can also convert a xyz Cartesian coordinates file into z-matrix. |
Areas of Application |
MOLDEN can be used to display molecular orbitals, electron density and electrostatic potentials by reading in information from the output files of ab initio packages such as GAMESS-US, GAMESS-UK, MOLPRO, ORCA, TURBOMOLE and Gaussian, etc. Note that it may be necessary to specify additional options in the input files for some software packages in order to generate the information needed by Molden. |
Implementation and Access |
MOLDEN can be accessed interactively on Magellan interactively by typing the command $CHEM/runmolden for the original Molden program without OpenGL capability, $CHEM/rungmolden accesses the full interactive OpenGL version of the program and $CHEM/runmoldenogl can be used to view orbitals and electron densities using OpenGL and allows the user to generate better quality graphics. Please note that users must have an X-windows emulator (e.g. Exceed, X11) to be able to use MOLDEN. |
Machines |
Available on Magellan. |
Documentation |
Please refer to the MOLDEN web site for details. There is a Unix-style man page for the local implementation of MOLDEN, accessible by typing: man runmolden . |
Literature References |
G. Schaftenaar and J. H. Noordik, "Molden: a pre- and post-processing program for molecular and electronic structures", J. Comput.-Aided Mol. Design, 14 (2000) 123-134. |
Specialist Support |
N/A |
Program Restrictions and Comments |
Please note that users must have an X-windows emulator (e.g. Exceed, X11) to be able to use MOLDEN. |