RDKit
Open-source cheminformatics and machine learning.
|
#include <MarvinParser.h>
Public Attributes | |
bool | sanitize = true |
bool | removeHs = true |
Definition at line 30 of file MarvinParser.h.
remove Hs after constructing the molecule
Definition at line 32 of file MarvinParser.h.
sanitize the molecule after building it
Definition at line 31 of file MarvinParser.h.