blob: 4518f4577abd43582ae4fadb8b95373deff03aa6 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
|
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<herd>sci-chemistry</herd>
<longdescription lang="en">
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>
|
GitWeb
