#1031523 ITP: iqmol -- molecular builder and visualization package

Package:
wnpp
Source:
wnpp
Submitter:
Drew Parsons
Date:
2025-11-29 16:52:28 UTC
Severity:
normal
#1031523#5
Date:
2023-02-17 17:56:43 UTC
From:
To:
* Package name    : iqmol
  Version         : 3.1.2
  Upstream Contact: Andrew Gilbert <andrew.gilbert@anu.edu.au>
* URL             : http://iqmol.org/
* License         : GPL
  Programming Lang: C++
  Description     : molecular builder and visualization package

IQmol is able to build molecules, set up and submit input for Q-Chem
calculations, and analyse the output. Analyses include display of
molecular surfaces (densites, molecular orbitals) and animations of
frequencies and reaction pathways.

To be maintained by the Debichem Team.