dockBMPI.h File Reference

#include <string>
#include <vector>
#include <boost/serialization/string.hpp>
#include <boost/serialization/vector.hpp>
#include <boost/archive/text_oarchive.hpp>
#include <boost/archive/text_iarchive.hpp>

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Classes
class	JobInputData
struct	JobOutData

Functions
int	dockjob (JobInputData &jobInput, JobOutData &jobOut)

Function Documentation

int dockjob	(	JobInputData &	jobInput,
		JobOutData &	jobOut
	)

References JobInputData::begin, JobInputData::cpu, doing(), done(), JobInputData::end, JobInputData::energy_range, JobInputData::exhaustiveness, parse_error::file, internal_error::file, JobInputData::fleBuffer, JobInputData::flexible, file_error::in, JobInputData::ligBuffer, JobInputData::ligFile, parse_error::line, internal_error::line, JobOutData::log, main_procedure(), JobInputData::n, file_error::name, JobInputData::num_modes, parse_bundle(), JobOutData::poses, parse_error::reason, JobInputData::recBuffer, JobInputData::seed, and VINA_FOR_IN.

Referenced by main().

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