blob: 19ea34996e8497b1287d54d7f5d96697f6ee9f5c (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
|
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer>
<email>sci-chemistry@gentoo.org</email>
<name>Gentoo Chemistry Project</name>
</maintainer>
<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>
|
