lDDTBSScorer Class Reference

Public Member Functions
def	__init__
def	ScoreBS

Data Fields
	chain_mapper
	ref
	mdl

Detailed Description

Scorer specific for a reference/model pair

Finds best possible binding site representation of reference in model given
lDDT score. Uses :class:`ost.mol.alg.chain_mapping.ChainMapper` to deal with
chain mapping.

:param reference: Reference structure
:type reference: :class:`ost.mol.EntityView`/:class:`ost.mol.EntityHandle`
:param model: Model structure
:type model: :class:`ost.mol.EntityView`/:class:`ost.mol.EntityHandle`
:param residue_number_alignment: Passed to ChainMapper constructor
:type residue_number_alignment: :class:`bool`

Definition at line 22 of file scoring.py.

Constructor & Destructor Documentation

def __init__	(		self,
			reference,
			model,
			residue_number_alignment = False
	)

Definition at line 37 of file scoring.py.

Member Function Documentation

def ScoreBS	(		self,
			ligand,
			radius = 4.0,
			lddt_radius = 10.0
	)

Computes binding site lDDT score given *ligand*. Best possible
binding site representation is selected by lDDT but other scores such as
CA based RMSD and GDT are computed too and returned.

:param ligand: Defines the scored binding site, i.e. provides positions
       to perform proximity search
:type ligand: r'((Residue)|(Chain)|(Entity))((View)|(Handle))'
:param radius: Reference residues with any atom position within *radius*
       of *ligand* consitute the scored binding site
:type radius: :class:`float`
:param lddt_radius: Passed as *inclusion_radius* to
            :class:`ost.mol.alg.lddt.lDDTScorer`
:type lddt_radius: :class:`float`
:returns: Object of type :class:`ost.mol.alg.chain_mapping.ReprResult`
  containing all atom lDDT score and mapping information.
  None if no representation could be found.

Definition at line 43 of file scoring.py.

Field Documentation

chain_mapper

Definition at line 38 of file scoring.py.

mdl

Definition at line 41 of file scoring.py.

ref

Definition at line 40 of file scoring.py.

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The documentation for this class was generated from the following file:

• build-2.7-doc/stage/lib64/python3.6/site-packages/ost/mol/alg/scoring.py