Read atoms with charges from a PQR file (as written by PDB2PQR). No connectivity is deduced.
See also
The file format is described in MDAnalysis.coordinates.PQR.
Parse atom information from PQR file filename.
Only reads the list of atoms. Reads the charges and radii from the PQR file and populates the MDAnalysis.core.AtomGroup.Atom.charge and MDAnalysis.core.AtomGroup.Atom.radius attribute.
Returns : | MDAnalysis internal structure dict |
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See also
The structure dict is defined in MDAnalysis.topology and PQRReader is used to read the PQR file.
Changed in version 0.9.0: Read chainID from a PQR file and use it as segid (before we always used ‘SYSTEM’ as the new segid).