Re: [Open Babel] Binary fingerprints?

abel API returned > hash values for each atoms. It did not return a bitstring fingerprint. > > That has since changed. The relevant commit is: > > commit a5978e1fe095abc884d3b42bbf59e92e732a50e7 > Author: John Mayfield > Date: Wed Oct 4 15:11:59 2017 +0100 > >

Re: [Open Babel] Weird regression in chemdraw handling between 2.3.2 and 2.4.90

Absolutely could be a regression but having done a fair bit of work on ChemDraw processing (old poster ) did you confirm it with the same file in both cases? ChemDraw actually stores the expansions (fragments) in th