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VinaLC: Parallel Molecular Docking Program |
Biochemical and Biophysical Systems Group |
#include <iostream>#include <fstream>#include <string>#include <sstream>#include <exception>#include <stack>#include <vector>#include <cmath>#include <boost/program_options.hpp>#include <boost/filesystem/fstream.hpp>#include <boost/filesystem/exception.hpp>#include <boost/filesystem/convenience.hpp>#include <boost/thread/thread.hpp>#include "parse_pdbqt.h"#include "parallel_mc.h"#include "file.h"#include "cache.h"#include "non_cache.h"#include "naive_non_cache.h"#include "parse_error.h"#include "everything.h"#include "weighted_terms.h"#include "current_weights.h"#include "quasi_newton.h"#include "gzstream.h"#include "coords.h"#include "tokenize.h"#include "dock.h"#include "mainProcedure.h"
Functions | |
| int | dockjob (JobInputData &jobInput, JobOutData &jobOut) |
| int dockjob | ( | JobInputData & | jobInput, |
| JobOutData & | jobOut | ||
| ) |