Public Member Functions
def	__init__ (self, ent_1, ent_2)

def	GetChainView1 (self, cname)

def	GetChainView2 (self, cname)

def	GetSuperposition (self, c1, c2)

def	GetMappedRMSD (self, chain_mapping, transformation)

Data Fields
	ent_1

	ent_2

Detailed Description

Helper object for repetitive RMSD calculations.
Meant to speed up :func:`_GetChainMapping` but could also be used to replace
:func:`_GetMappedRMSD` in :func:`_CheckClosedSymmetry`.

:param ent_1: See :attr:`QSscorer.ent_to_cm_1`
:param ent_2: See :attr:`QSscorer.ent_to_cm_2`

Definition at line 2550 of file qsscoring.py.

Constructor & Destructor Documentation

◆ init()

def __init__	(	self,
		ent_1,
		ent_2
	)

Definition at line 2558 of file qsscoring.py.

Member Function Documentation

◆ GetChainView1()

def GetChainView1	(	self,
		cname
	)

Get cached view on chain *cname* for :attr:`ent_1`.

Definition at line 2566 of file qsscoring.py.

◆ GetChainView2()

def GetChainView2	(	self,
		cname
	)

Get cached view on chain *cname* for :attr:`ent_2`.

Definition at line 2572 of file qsscoring.py.

◆ GetMappedRMSD()

def GetMappedRMSD	(	self,
		chain_mapping,
		transformation
	)

:return: RMSD between complexes considering chain mapping.
:param chain_mapping: See :attr:`QSscorer.chain_mapping`.
:param transformation: Superposition transformation (e.g. res.transformation
                       for res = :func:`GetSuperposition`).

Definition at line 2594 of file qsscoring.py.

◆ GetSuperposition()

def GetSuperposition	(	self,
		c1,
		c2
	)

Get superposition result (no change in entities!) for *c1* to *c2*.
This invalidates cached RMSD results used in :func:`GetMappedRMSD`.

:param c1: chain name for :attr:`ent_1`.
:param c2: chain name for :attr:`ent_2`.

Definition at line 2578 of file qsscoring.py.

Field Documentation

◆ ent_1

ent_1

Definition at line 2560 of file qsscoring.py.

◆ ent_2

ent_2

Definition at line 2561 of file qsscoring.py.

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

build-dev-doc/stage/lib64/python3.9/site-packages/ost/mol/alg/qsscoring.py

Public Member Functions

Data Fields