RDKit
Open-source cheminformatics and machine learning.
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ProximityBonds.h File Reference
#include <RDGeneral/export.h>
#include <GraphMol/RWMol.h>

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Namespaces

namespace  RDKit
 Std stuff.
 

Functions

RDKIT_FILEPARSERS_EXPORT bool RDKit::IsBlacklistedPair (Atom *beg_atom, Atom *end_atom)
 
RDKIT_FILEPARSERS_EXPORT void RDKit::ConnectTheDots (RWMol *mol, unsigned int flags=0)
 
RDKIT_FILEPARSERS_EXPORT void RDKit::StandardPDBResidueBondOrders (RWMol *mol)
 
RDKIT_FILEPARSERS_EXPORT bool RDKit::SamePDBResidue (AtomPDBResidueInfo *p, AtomPDBResidueInfo *q)
 

Variables

static const unsigned int RDKit::ctdIGNORE_H_H_CONTACTS = 0x1