Hello,
this is a question regarding the conversion of SMILES to xyz. I have to
identify atoms in the generated xyz file, which are involved in double bonds
with fixed stereochemistry according to the SMILES. A fast solution would be
just to count atoms until '/' or '\' is found in the SMILES. But this is only
possible, if it is ensured that in every case the order of atoms within the xyz
file is identical to the one in the SMILE string. Is this the case? Thanks a
lot for your help!
Best wishes
Volker Settels
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