molck.hh File Reference

#include <string>
#include <ost/mol/entity_handle.hh>
#include <ost/conop/compound_lib.hh>

Go to the source code of this file.

Data Structures
struct	MolckSettings

Namespaces
	ost
	ost::mol
	ost::mol::alg

Functions
void	MapNonStandardResidues (ost::mol::EntityHandle &ent, ost::conop::CompoundLibPtr lib, bool log_diags=true)
void	RemoveAtoms (ost::mol::EntityHandle &ent, ost::conop::CompoundLibPtr lib, bool rm_unk_atoms, bool rm_non_std, bool rm_hyd_atoms, bool rm_oxt_atoms, bool rm_zero_occ_atoms, bool colored=true)
void	CleanUpElementColumn (ost::mol::EntityHandle &ent, ost::conop::CompoundLibPtr lib)
void	Molck (ost::mol::EntityHandle &ent, ost::conop::CompoundLibPtr lib, const MolckSettings &settings, bool prune=true)