CavitySearch.h File Reference

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

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Functions
RBTDLL_EXPORT int	rxdock::operation::cavitySearch (std::string strReceptorPrmFile, bool readDockingSite, bool writeDockingSite, bool writeMOEGrid, bool writeInsightII, bool writePsfCrd, bool listAtoms, double listDistance, bool printSiteDescriptors, double border)
	Finds cavities on the receptor.

Detailed Description

CavitySearch operation.