Hi Thomas,
You're right, reading multiple conformations out of an SDF does seem like
one of those common operations. Unfortunately the RDKit does not currently
support it in an easy way.
A python implementation of this would be a good topic for Friday's UGM
hackathon, we can see if anyone finds
Hey, by the way, my agenda is trying to understand all this. I'm ignorant
about the general area and have learned something. But don't worry -- not
enough to be dangerous. :-) If something comes out of the discussion that's
generally useful, great!
By the way, when you post your UGM Jupyter
Since I've been busy at the UGM I haven't had the time to really pay
attention to this thread (or the longer one that spawned it). Apologies for
that.
First: I agree that the current situation is "a bit" ugly.
There is certainly a reason the RDKit generates SVG in the form that it
does, but I
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