mmdb::SeqSuperpose Class Reference

#include <mmdb_seqsuperpose.h>

List of all members.

Public Member Functions
	SeqSuperpose ()
	~SeqSuperpose ()
int	Superpose (PManager MMDB, PPAtom Calpha1, int nCalpha1, PPAtom Calpha2, int nCalpha2, realtype seqThreshold, bool keepBricks)
Public Attributes
mat44	TMatrix
realtype	Q
realtype	rmsd
realtype	seqId
realtype	_seqId
int	Nalign
ivector	c1
ivector	c2
Protected Member Functions
void	SeqSuperposeInit ()
void	FreeMemory ()
realtype	MatchQuality (int Nalign, realtype Rmsd, int nres1, int nres2)
realtype	MatchQuality2 (int Nalign, realtype dist2, int nres1, int nres2)
void	MakeContacts (mat44 &TM, realtype cont_est)
int	makeStructAlignment (realtype seqThreshold, bool keepBricks)
Protected Attributes
math::PAlignment	Align
PManager	M
PPAtom	Ca1
PPAtom	Ca2
int	nCa1
int	nCa2
ivector	cn1
ivector	cn2
realtype	Rmsd0
realtype	maxContact
PContact	contact
int	ncontacts

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Constructor & Destructor Documentation

mmdb::SeqSuperpose::SeqSuperpose

(

)

mmdb::SeqSuperpose::~SeqSuperpose

(

)

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Member Function Documentation

void mmdb::SeqSuperpose::FreeMemory

(

)

[protected]

void mmdb::SeqSuperpose::MakeContacts	(	mat44 &	TM,
		realtype	cont_est
	)		[protected]

int mmdb::SeqSuperpose::makeStructAlignment	(	realtype	seqThreshold,
		bool	keepBricks
	)		[protected]

realtype mmdb::SeqSuperpose::MatchQuality	(	int	Nalign,
		realtype	Rmsd,
		int	nres1,
		int	nres2
	)		[protected]

realtype mmdb::SeqSuperpose::MatchQuality2	(	int	Nalign,
		realtype	dist2,
		int	nres1,
		int	nres2
	)		[protected]

void mmdb::SeqSuperpose::SeqSuperposeInit

(

)

[protected]

int mmdb::SeqSuperpose::Superpose	(	PManager	MMDB,
		PPAtom	Calpha1,
		int	nCalpha1,
		PPAtom	Calpha2,
		int	nCalpha2,
		realtype	seqThreshold,
		bool	keepBricks
	)

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Member Data Documentation

realtype mmdb::SeqSuperpose::_seqId

math::PAlignment mmdb::SeqSuperpose::Align [protected]

ivector mmdb::SeqSuperpose::c1

ivector mmdb::SeqSuperpose::c2

PPAtom mmdb::SeqSuperpose::Ca1 [protected]

PPAtom mmdb::SeqSuperpose::Ca2 [protected]

ivector mmdb::SeqSuperpose::cn1 [protected]

ivector mmdb::SeqSuperpose::cn2 [protected]

PContact mmdb::SeqSuperpose::contact [protected]

PManager mmdb::SeqSuperpose::M [protected]

realtype mmdb::SeqSuperpose::maxContact [protected]

int mmdb::SeqSuperpose::Nalign

int mmdb::SeqSuperpose::nCa1 [protected]

int mmdb::SeqSuperpose::nCa2 [protected]

int mmdb::SeqSuperpose::ncontacts [protected]

realtype mmdb::SeqSuperpose::Q

realtype mmdb::SeqSuperpose::rmsd

realtype mmdb::SeqSuperpose::Rmsd0 [protected]

realtype mmdb::SeqSuperpose::seqId

mat44 mmdb::SeqSuperpose::TMatrix

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

• src/mmdb_seqsuperpose.h
• src/mmdb_seqsuperpose.cpp