RDKit
Open-source cheminformatics and machine learning.
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ProximityBonds.h File Reference
#include <
RDGeneral/export.h
>
#include <
GraphMol/RWMol.h
>
Go to the source code of this file.
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
GraphMol
FileParsers
ProximityBonds.h
Generated on Mon Sep 30 2024 05:19:34 for RDKit by
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