* sci-chemistry/ghemical
Latest version available: 2.01
Latest version installed: [ Not Installed ]
Size of downloaded files: 6,037 kB
Homepage: http://bioinformatics.org/ghemical/
Description: Ghemical 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.
License: GPL-2
* sci-libs/libghemical
Latest version available: 2.00
Latest version installed: [ Not Installed ]
Size of downloaded files: 1,844 kB
Homepage: http://bioinformatics.org/ghemical/
Description: Ghemical 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.
License: GPL-2
That's a tad too long... :) Please use <longdescription> in metadata.xml for
such stuff. Thanks.
