summaryrefslogtreecommitdiff
blob: 81439daa125938fe45fb89cc26f7235d1293118d (plain)
1
2
3
4
5
6
7
8
9
10
11
12
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<herd>sci-chemistry</herd>
<longdescription>
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.
</longdescription>
</pkgmetadata>