Centre for Molecular and Biomolecular Informatics
Radboud University Nijmegen
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. In addition, it supports a number of other programs via the Molden Format. Molden reads all the required information from the GAMESS / GAUSSIAN output file. Molden is capable of displaying Molecular Orbitals, the electron density and the Molecular minus Atomic density. For a number of standard basis sets, either the spherically averaged atomic density or the oriented ground state atomic density can be subtracted. The program supports contour plots, 3-D grid plots with hidden lines, and a combination of both.
Molden can write a variety of graphics instructions: postscript, X-Windows, VRML, povray, tekronix4014, hpgl, hp2392, and Figure. The X-windows version of Molden is also capable of importing and displaying of ChemX, PDB, a variety of Mopac/Ampac files, and lots of other formats. The program 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.
Molden has a powerful Z-matrix editor which gives full control over the geometry and allows you to build molecules from scratch, including polypeptides. Molden was also submitted to the QCPE (program number 619), although its X-windows version is considerably lagging behind on the current one.
|A typical display from a MOLDEN session.|
|Click on image for full display|
Author: G. Schaftenaar, CMBI
For more information on Molden, you are referred to Gijs Schaftenaar's MOLDEN pages.
Molden can be downloaded and installed locally.