4.4. PSF topology parser
Reads a CHARMM/NAMD/XPLOR PSF file to build the system. Currently uses
the list of atoms (including atom types, which can be either integers
or strings, masses and partial charges) and the bond connectivity.
It reads both standard and extended (“EXT”) PSF formats and can also parse NAMD
space-separated “PSF” file variants.
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exception MDAnalysis.topology.PSFParser.PSFParseError[source]
Signifies an error during parsing of a CHARMM PSF file.
x.__init__(...) initializes x; see help(type(x)) for signature
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MDAnalysis.topology.PSFParser.parse(filename)[source]
Parse CHARMM/NAMD/XPLOR PSF file filename.
Returns: | MDAnalysis internal structure dict as defined here. |