blob: 8dbe075a6c0a5a7ba731435c16784d143c0ca19c [file] [log] [blame]
<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "">
<maintainer type="project">
<name>Gentoo Chemistry Project</name>
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.
<flag name="openbabel">Use <pkg>sci-chemistry/openbabel</pkg> for file