RDKit::v2::FileParsers::PDBParserParams Struct Reference

#include <FileParsers.h>

Public Attributes
bool	sanitize = true
bool	removeHs = true
bool	proximityBonding = true
unsigned int	flavor = 0

Detailed Description

Definition at line 365 of file FileParsers.h.

Member Data Documentation

flavor

unsigned int RDKit::v2::FileParsers::PDBParserParams::flavor = 0

flavor to use

Definition at line 370 of file FileParsers.h.

Referenced by RDKit::v1::PDBMolSupplier::PDBMolSupplier(), and RDKit::v1::PDBMolSupplier::PDBMolSupplier().

proximityBonding

bool RDKit::v2::FileParsers::PDBParserParams::proximityBonding = true

if set to true, proximity bonding will be performed

Definition at line 368 of file FileParsers.h.

Referenced by RDKit::v1::PDBMolSupplier::PDBMolSupplier(), and RDKit::v1::PDBMolSupplier::PDBMolSupplier().

removeHs

bool RDKit::v2::FileParsers::PDBParserParams::removeHs = true

remove Hs after constructing the molecule

Definition at line 367 of file FileParsers.h.

Referenced by RDKit::v1::PDBMolSupplier::PDBMolSupplier(), and RDKit::v1::PDBMolSupplier::PDBMolSupplier().

sanitize

bool RDKit::v2::FileParsers::PDBParserParams::sanitize = true

sanitize the molecule after building it

Definition at line 366 of file FileParsers.h.

Referenced by RDKit::v1::PDBMolSupplier::PDBMolSupplier(), and RDKit::v1::PDBMolSupplier::PDBMolSupplier().

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The documentation for this struct was generated from the following file:

• FileParsers.h