Hi all, a colleague is using OpenBabels similarity search and is struggling
with the "-s" input option, which allows only one query molecule at a time.
Is there already any command line tool snippet to allow the input of a
1. fingerprint file with a multi SDFile as query, or
2. two fin
Hi all,
I am trying to get my head around the tautomer function. Here a few issues,
could you help me getting into touch with Tim, or someone else being able
to help with the tautomerization functionality?
First, the canonical tautomer function is less tautomeric than I would wish
for.
The follow
