Hi, I have some python code I'm working with, parts of which were written by
someone else, including the bit I'm currently struggling with.
The code has a flag, babel_bond, which is described in the Help as "tells
open babel to automatically calculate bonds". Overall this code has been
working, in other words, when True, open babel does indeed calculate bonds
for files with no bond information, and when False it does not.
Its sole usage in the code is:
conv = OBConversion()
if not babel_bond:
conv.SetOptions("b", conv.INOPTIONS)
The bond detection behavior has been acting up recently and as part of the
problem solving process I've been trying to find any documentation
whatsoever about this "b" option being set in INOPTIONS.
All I've found is
"-b Convert dative bonds (e.g. [N+]([O-])=O to N(=O)=O)"
Which does not seem to have any connection to the actual behavior in the
code.
Does anyone know what this "b" option is or how it works?
Thanks
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