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