protein_ligand_score.h File Reference

Functions to read mol2s. More...

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Data Structures
class	IMP::atom::ProteinLigandAtomPairScore
class	IMP::atom::ProteinLigandRestraint
Namespaces
namespace	IMP
	The `IMP` kernel provides base classes and key shared functionality.
namespace	IMP::atom
	This module contains functionality for dealing with atoms and proteins.
Functions
Protein-ligand scoring
`IMP` provides a statistical scoring function for scoring protein-ligand complexes. Papers will be forthcoming. Neither of the scoring methods provide derivatives. As will more documentation and examples.
void	IMP::atom::add_protein_ligand_score_data (Hierarchy h)

Detailed Description

Functions to read mol2s.