RDKit
Open-source cheminformatics and machine learning.
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#include <FileParsers.h>
Public Attributes | |
bool | sanitize = true |
bool | skipFirstConf |
Definition at line 147 of file FileParsers.h.
sanitize the molecule after building it
Definition at line 148 of file FileParsers.h.
bool RDKit::v2::FileParsers::TPLParserParams::skipFirstConf |
if set to true, the first conformer will be skipped
Definition at line 149 of file FileParsers.h.