Dock.h File Reference

#include "rxdock/support/Export.h"
#include <string>

Go to the source code of this file.

Functions
RBTDLL_EXPORT int	rxdock::operation::dock (std::string strLigandMdlFile, std::string strOutputMdlFile, bool bOutputCrd, std::string strOutputCrdFile, bool bOutputHistory, std::string strOutputHistoryFilePrefix, std::string strReceptorPrmFile, std::string strParamFile, bool bFilter, std::string strFilterFile, bool bDockingRuns, std::size_t nDockingRuns, bool bPosIonise, bool bNegIonise, bool bExplH, bool bTarget, double dTargetScore, bool bContinue, bool bSeed, std::size_t nSeed)
	Docks ligand(s) to the receptor.

Detailed Description

Dock operation.