sci-chemistry/ghemical/metadata.xml

<?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>
<use>
  <flag name='openbabel'>Use <pkg>sci-chemistry/openbabel</pkg> for file
    conversions</flag>
</use>
</pkgmetadata>