parse_pdbqt.h File Reference

#include "model.h"
#include <sstream>

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Functions
model	parse_receptor_pdbqt (const path &rigid, const path &flex)
model	parse_receptor_pdbqt (const path &rigid)
model	parse_ligand_pdbqt (const path &name)
model	parse_ligand_pdbqt (std::stringstream &ligSS)

Function Documentation

model parse_receptor_pdbqt	(	const path &	rigid,
		const path &	flex
	)

References pdbqt_initializer::initialize(), pdbqt_initializer::initialize_from_nrp(), pdbqt_initializer::initialize_from_rigid(), pdbqt_initializer::m, non_rigid_parsed::mobility_matrix(), parse_pdbqt_flex(), and parse_pdbqt_rigid().

Referenced by parse_bundle().

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model parse_receptor_pdbqt

(

const path &

rigid

)

References pdbqt_initializer::initialize(), pdbqt_initializer::initialize_from_rigid(), pdbqt_initializer::m, and parse_pdbqt_rigid().

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model parse_ligand_pdbqt

(

const path &

name

)

References pdbqt_initializer::initialize(), pdbqt_initializer::initialize_from_nrp(), pdbqt_initializer::m, non_rigid_parsed::mobility_matrix(), and parse_pdbqt_ligand().

Referenced by parse_bundle().

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model parse_ligand_pdbqt

(

std::stringstream &

ligSS

)

References pdbqt_initializer::initialize(), pdbqt_initializer::initialize_from_nrp(), pdbqt_initializer::m, non_rigid_parsed::mobility_matrix(), and parse_pdbqt_ligand().

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