VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#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>
Go to the source code of this file.
Classes | |
class | JobInputData |
struct | JobOutData |
Functions | |
int | dockjob (JobInputData &jobInput, JobOutData &jobOut) |
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().