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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>
pmx (formerly pymacs) has started as a small bunch of classes to read
structure files such as pdb or gro and trajectory data in gromacs xtc
format. Over the years it has been extended towards a versatile (bio-)
molecular structure manipulation package with some additional
functionalities, e.g. gromacs file parsers and scripts for setup and
analysis of free energy calculations.
</longdescription>
<upstream>
<remote-id type="github">dseeliger/pmx</remote-id>
</upstream>
</pkgmetadata>
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