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RDKit
Open-source cheminformatics and machine learning.
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#include <FileParsers.h>
Public Attributes | |
bool | sanitize = true |
bool | removeHs = true |
bool | proximityBonding = true |
unsigned int | flavor = 0 |
Definition at line 365 of file FileParsers.h.
unsigned int RDKit::v2::FileParsers::PDBParserParams::flavor = 0 |
flavor to use
Definition at line 370 of file FileParsers.h.
bool RDKit::v2::FileParsers::PDBParserParams::proximityBonding = true |
if set to true, proximity bonding will be performed
Definition at line 368 of file FileParsers.h.
bool RDKit::v2::FileParsers::PDBParserParams::removeHs = true |
remove Hs after constructing the molecule
Definition at line 367 of file FileParsers.h.
bool RDKit::v2::FileParsers::PDBParserParams::sanitize = true |
sanitize the molecule after building it
Definition at line 366 of file FileParsers.h.