| Name : ghemical
| |
| Version : 3.0.0
| Vendor : openSUSE-Education
|
| Release : 2.73
| Date : 2018-11-21 17:40:49
|
| Group : Productivity/Scientific/Chemistry
| Source RPM : ghemical-3.0.0-2.73.src.rpm
|
| Size : 2.29 MB
| |
| Packager : (none)
| |
| Summary : The MM and QM calculations frontend
|
Description :
Ghemical is a computational chemistry software package released under the
GNU GPL.
Ghemical is written in C++. It has a graphical user interface (in fact,
a couple of them), and it supports both quantum-mechanics (semi-empirical
and ab initio) models and molecular mechanics models (there is an experimental
Tripos 5.2-like force field for organic molecules). Also a tool for reduced
protein models is included. Geometry optimization, molecular dynamics
and a large set of visualization tools are currently available.
|
RPM found in directory: /packages/linux-pbone/ftp5.gwdg.de/pub/opensuse/repositories/Education/openSUSE_Tumbleweed/x86_64 |
