ParmEd (ParmEd Structure)



Coordinate reader


Topology parser


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.