ParmEd (ParmEd Structure)¶
Converter |
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Coordinate reader |
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Topology parser |
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The ParmEd library is a general tool for molecular modelling, often used to manipulate system topologies or convert between file formats. You can pass in a parmed.Structure
to be converted into an MDAnalysis Universe, and convert it back using a ParmEdConverter
. While you can convert Universes created by other means (e.g. by reading files) into a ParmEd structure, MDAnalysis does not read or generate details such the “type” of a bond (i.e. bondtype), or information such as ureybradley
terms.