| Name : ghemical
| |
| Version : 0.90
| Vendor : PLD
|
| Release : 1
| Date : 2002-09-15 17:58:05
|
| Group : X11/Applications/Science
| Source RPM : ghemical-0.90-1.src.rpm
|
| Size : 4.83 MB
| |
| Packager : PLD bug tracking system ( http://bugs_pld_org_pl/ )
| |
| Summary : Ghemical - The MM and QM calculations frontend
|
Description :
Ghemical is a computational chemistry software package released under
the GNU GPL. It 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: /vol/rzm3/linux-pld/dists/ra/PLD/i386/PLD/RPMS |
