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Published 20 hours ago • verified publisher icon bryanherger

Output SMILES is broken

Open Krzmbrzl opened this issue 6 years ago • 1 comments

When choosing to output the SMILES string for a molecule it will print out * instead of the respective element-symbols.

Krzmbrzl avatar May 14 '18 18:05 Krzmbrzl

Just noticed that this seems to be handled via OpenBabel so the fault might be over there (maybe even in my local installation). Would be nice if someone could cross-check this on his/her machine

Krzmbrzl avatar May 14 '18 18:05 Krzmbrzl