I was wondering how complicated it would be to add
the ability to read polymers from molfiles. Right now I am getting
something like this:
Unhandled CTAB feature: S group SRU on line: 75. Molecule skipped
What I would prefer:
1) The molecule is read in and some kind of flag is set to signify that it
is a polymer
2) the position of the brackets is saved in some structure a user can query
A crude way to achieve "1" would be to just skip the "M STY" and similar
lines
while setting "is_polymer" flag, not sure if this is the right approach
though.
Commercial packages seems to be able to handle this - cactvs, chemaxon,
accelrys draw,
so there should be no technical reason RDKit cannot read such files.
Happy New Year to everybody!
Igor
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