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.
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.
precision of the coordinates
Definition at line 139 of file MarvinParser.h.
makes the output more human readable
Definition at line 138 of file MarvinParser.h.