Just FYI for those of you using Pybel.
The Pybel API has been stable for several years with no additions or
deletions. The latest release bundled with OB 2.3.2 has something new
though, the ability to set options for file format conversion.
This is done via an 'opt' dictionary, e.g. mol.write("smi",
opt={"f":2}), sets atom 2 to be the first atom when writing the
SMILES. For options without parameters, a value of True should be
used.
Regards,
Noel
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