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chemfiles/chemfiles: 0.7.4

Guillaume Fraux


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  <identifier identifierType="DOI">10.5281/zenodo.800664</identifier>
  <creators>
    <creator>
      <creatorName>Guillaume Fraux</creatorName>
      <affiliation>PSL, Chimie ParisTech, CNRS -- IRCP</affiliation>
    </creator>
  </creators>
  <titles>
    <title>chemfiles/chemfiles: 0.7.4</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2017</publicationYear>
  <dates>
    <date dateType="Issued">2017-05-18</date>
  </dates>
  <resourceType resourceTypeGeneral="Software"/>
  <alternateIdentifiers>
    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/800664</alternateIdentifier>
  </alternateIdentifiers>
  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.800663</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="http://opensource.org/licenses/MPL-2.0">Mozilla Public License 2.0</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;Chemfiles is a modern library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more.&lt;/p&gt;</description>
  </descriptions>
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