ost.bindings.dockq Namespace Reference

Data Structures
class	DockQResult

Functions
def	DockQ

Function Documentation

def ost.bindings.dockq.DockQ	(		dockq_exec,
			mdl,
			ref,
			mdl_ch1,
			mdl_ch2,
			ref_ch1,
			ref_ch2
	)

Computes DockQ for specified interface 

DockQ is available from https://github.com/bjornwallner/DockQ - 
For this binding to work, DockQ must be properly installed and its
dependencies must be available (numpy, Biopython).

:param dockq_exec: Path to DockQ.py script from DockQ repository
:type dockq_exec: :class:`str`
:param mdl: Model structure
:type mdl: :class:`ost.mol.EntityView`/:class:`ost.mol.EntityHandle`
:param ref: Reference structure, i.e. native structure
:type ref: :class:`ost.mol.EntityView`/:class:`ost.mol.EntityHandle`
:param mdl_ch1: Specifies chain(s) in model constituting first part of
                interface
:type mdl_ch1: :class:`str`/:class:`list` of :class:`str`
:param mdl_ch2: Specifies chain(s) in model constituting second part of
                interface
:type mdl_ch2: :class:`str`/:class:`list` of :class:`str`
:param ref_ch1: ref equivalent of mdl_ch1
:type ref_ch1: :class:`str`/:class:`list` of :class:`str`
:param ref_ch2: ref equivalent of mdl_ch2
:type ref_ch2: :class:`str`/:class:`list` of :class:`str`
:returns: Result object of type :class:`DockQResult`

Definition at line 229 of file dockq.py.