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RDKit
Open-source cheminformatics and machine learning.
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#include <MarvinParser.h>
Public Attributes | |
bool | includeStereo = true |
bool | kekulize |
bool | prettyPrint = false |
unsigned int | precision = 6 |
Definition at line 134 of file MarvinParser.h.
bool RDKit::MrvWriterParams::includeStereo = true |
toggles inclusion of stereochemical
Definition at line 135 of file MarvinParser.h.
bool RDKit::MrvWriterParams::kekulize |
triggers kekulization of the molecule before it's written
Definition at line 136 of file MarvinParser.h.
unsigned int RDKit::MrvWriterParams::precision = 6 |
precision of the coordinates
Definition at line 139 of file MarvinParser.h.
bool RDKit::MrvWriterParams::prettyPrint = false |
makes the output more human readable
Definition at line 138 of file MarvinParser.h.