Difference between revisions of "JUSTUS2/Software/Molden"

From bwHPC Wiki
Jump to: navigation, search
m
Line 1: Line 1:
{{Softwarepage}}
+
{{Softwarepage|chem/molden}}
   
 
{| width=600px class="wikitable"
 
{| width=600px class="wikitable"

Revision as of 15:29, 21 December 2021

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

1 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.


2 Usage

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

2.1 Command-Line

$ molden

2.2 Graphical User Interface (GUI)

$ gmolden &

Molden gui.jpg