Use a PDB file to build a minimum internal structure representation (list of atoms).
Reads a PDB file line by line and is not fuzzy about numbering.
Warning
Only cares for atoms and their names; neither connectivity nor (partial) charges are deduced. Masses are guessed and set to 0 if unknown.
Signifies an error during parsing a PDB file.
Parse atom information from PDB file filename.
Returns : | MDAnalysis internal structure dict |
---|
See also
The structure dict is defined in MDAnalysis.topology.PSFParser.parse() and the file is read with MDAnalysis.coordinates.PDB.PrimitivePDBReader.