blob: 82a6530d10c8ecdb9fbe920b0020997e7cf36813 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
|
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
<maintainer type="project">
<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>
<use>
<flag name="mopac7">Use <pkg>sci-chemistry/mopac7</pkg> for semi-empirical
calculations</flag>
<flag name="mpqc">Use <pkg>sci-chemistry/mpqc</pkg> for quantum-mechanical
calculations</flag>
</use>
</pkgmetadata>
|
GitWeb
