JUSTUS2/Software/Molden

From bwHPC Wiki
Jump to navigation Jump to search

The main documentation is available via module help chem/molden on the cluster. Most software modules for applications provide working example batch scripts.


Description Content
module load chem/molden
License Free. See: Copyright CMBI
Citing Molden-Reference
Links Homepage | Documentation
Graphical Interface Yes

Description

Molden is a software package for displaying molecular coordinates, molecular orbitals, electron densities from various quantum chemical software packages and supports contour and 3-D grid plots. Moreover, Molden supports many output formats including postscript, povray, OpenGL and hpgl.


Usage

Once the module Molden is loaded, the binaries molden (Command-Line) and gmolden (GUI) can be directly executed:

Command-Line

$ molden

Graphical User Interface (GUI)

$ gmolden &

Molden gui.jpg