Created on 7 Aug 2013
@author: jmht
Classes for holding data from PDB files
OriginInfo
(spaceGroupLabel=None)[source]¶Bases: object
Methods
isFloating | |
nonRedundantAlternateOrigins | |
redundantAlternateOrigins | |
spaceGroup |
PdbAtom
(line=None)[source]¶Bases: object
Methods
fromHetatm (hetatm) |
Create Atom from Hetatm |
fromLine (line) |
Initialise from the line from a PDB |
toLine () |
Create a line suitable for printing to a PDB file |
PdbHetatm
(line=None)[source]¶Bases: ample.util.pdb_model.PdbAtom
Identical to PdbAtom but just with a different _atomType
Methods
fromHetatm (hetatm) |
Create Atom from Hetatm |
fromLine (line) |
Initialise from the line from a PDB |
toLine () |
Create a line suitable for printing to a PDB file |
PdbInfo
[source]¶Bases: object
A class to hold information extracted from a PDB file
Methods
getSequence () |
Return the sequence for the first model/chain |
numAtoms ([modelIdx]) |
Return the total number of ATOM atoms in the model |
numCalpha ([modelIdx]) |
Return the total number of CA ATOM atoms in the model |
numChains ([modelIdx]) |
Return the total number of chains in the model |