Molden
Encyclopedia
Molden is a general molecular and electronic structure processing program.
Major features
- Reads output from the ab initio packages GAMESS (US)GAMESS (US)GAMESS is a computational chemistry software program that stands for General Atomic and Molecular Electronic Structure System. The original code started on October 1, 1977 as a National Resources for Computations in Chemistry project. In 1981, the code base split into GAMESS and GAMESS variants,...
, Gaussian, MOLPROMOLPROMOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors....
and from semi-empirical packages such as MOPACMOPACIn computational chemistry, MOPAC is a popular computer program designed to implement semi-empirical quantum chemistry algorithms, such as MINDO, MNDO, AM1, PM3, PM5, and . It was largely written in the group of Michael Dewar at University of Texas, Austin...
, and supports a number of other formats. - Displays molecular orbitals or electron densityElectron densityElectron density is the measure of the probability of an electron being present at a specific location.In molecules, regions of electron density are usually found around the atom, and its bonds...
as contour plots or 3D grid plots and output to a number of graphical formats. - Animates reaction paths and molecular vibrations.
- A powerful Z-matrixZ-matrix (chemistry)In chemistry, the Z-matrix is a way to represent a system built of atoms. A Z-matrix is also known as an internal coordinate representation...
editor.
See also
- List of molecular graphics systems
- List of software for molecular mechanics modeling