Created on 7 Aug 2013
@author: jmht
Classes for holding data from PDB files
PdbAtom
(line=None)[source]¶Bases: object
COLUMNS DATA TYPE FIELD DEFINITION
1 - 6 Record name “ATOM ” 7 - 11 Integer serial Atom serial number.
13 - 16 Atom name Atom name. 17 Character altLoc Alternate location indicator. 18 - 20 Residue name resName Residue name. 22 Character chainID Chain identifier. 23 - 26 Integer resSeq Residue sequence number. 27 AChar iCode Code for insertion of residues. 31 - 38 Real(8.3) x Orthogonal coordinates for X in Angstroms. 39 - 46 Real(8.3) y Orthogonal coordinates for Y in Angstroms. 47 - 54 Real(8.3) z Orthogonal coordinates for Z in Angstroms. 55 - 60 Real(6.2) occupancy Occupancy. 61 - 66 Real(6.2) tempFactor Temperature factor. 73 - 76 LString(4) segID Segment identifier, left-justified. 77 - 78 LString(2) element Element symbol, right-justified. 79 - 80 LString(2) charge Charge on the atom.
PdbHetatm
(line=None)[source]¶Bases: ample.util.pdb_model.PdbAtom
Identical to PdbAtom but just with a different _atomType
PdbModres
(line)[source]¶Bases: object
1 - 6 Record name “MODRES” 8 - 11 IDcode idCode ID code of this entry.
13 - 15 Residue name resName Residue name used in this entry. 17 Character chainID Chain identifier. 19 - 22 Integer seqNum Sequence number. 23 AChar iCode Insertion code. 25 - 27 Residue name stdRes Standard residue name. 30 - 70 String comment Description of the residue modification.