ProtoCaller.IO.PDB.Residue module¶
-
class
ProtoCaller.IO.PDB.Residue.
Residue
(atoms=None)¶ Bases:
ProtoCaller.IO.PDB.Missing.MissingResidue
,ProtoCaller.Utils.ConditionalList.ConditionalList
Represents a single residue in a PDB file.
- Parameters
atoms ([ProtoCaller.IO.PDB.Atom.Atom]) – A list of atoms.
-
resName
¶ Residue name.
- Type
str
-
chainID
¶ Chain identifier.
- Type
str
-
resSeq
¶ Residue sequence number.
- Type
int
-
iCode
¶ Code for insertion of residues.
- Type
str
-
property
numberOfAtoms
¶ Returns the number of atoms.
- Type
int
-
purgeAtoms
(atoms, mode)¶ Removes or keeps the selected atoms.
- Parameters
atoms ([ProtoCaller.IO.PDB.Atom.Atom]) – Atoms to be removed or kept
mode (str) – One of “keep” and “discard” - either keeps only the selection or discards the latter.
-
reNumberAtoms
(start=1, custom_serials=None)¶ Renumbers the atoms.
- Parameters
start (int, optional) – Initial index.
custom_serials ([int] or None, optional) – A list of custom indices. If None, atoms are renumbered sequentially.
-
property
sequence
¶ Returns the single-character code of the amino acid residue.
- Type
str