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RDKit
Open-source cheminformatics and machine learning.
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#include <FileParsers.h>
Public Attributes | |
| bool | sanitize = true |
| bool | skipFirstConf |
Definition at line 191 of file FileParsers.h.
| bool RDKit::v2::FileParsers::TPLParserParams::sanitize = true |
sanitize the molecule after building it
Definition at line 192 of file FileParsers.h.
| bool RDKit::v2::FileParsers::TPLParserParams::skipFirstConf |
if set to true, the first conformer will be skipped
Definition at line 193 of file FileParsers.h.