ghemical 3.0.0-1 (i386 binary) in ubuntu trusty

 Ghemical is a computational chemistry software package written in C++.
 It has a graphical user interface and it supports both quantum-
 mechanics (semi-empirical) models and molecular mechanics models.
 Geometry optimization, molecular dynamics and a large set of
 visualization tools using OpenGL are currently available.
 .
 Ghemical relies on external code to provide the quantum-mechanical
 calculations. Semi-empirical methods MNDO, MINDO/3, AM1 and PM3 come
 from the MOPAC7 package (Public Domain), and are included in the
 package. The MPQC package is used to provide ab initio methods: the
 methods based on Hartree-Fock theory are currently supported with
 basis sets ranging from STO-3G to 6-31G**.

Details

Package version:
3.0.0-1
Source:
ghemical 3.0.0-1 source package in Ubuntu
Status:
Published
Component:
universe
Priority:
Optional

Downloadable files