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Subject: Re: [Open Babel] mol.EndModify() and upgrade to ob3.0
Hi Simon,
I'm finding it a bit confusing to work out what's going on here. If you could
either provide the simplest possible self-contained example, or else describe
what you want to do. At the back of my mind is the fact that molA +
Hi Simon,
I'm finding it a bit confusing to work out what's going on here. If you
could either provide the simplest possible self-contained example, or else
describe what you want to do. At the back of my mind is the fact that molA
+= molB is how you add one molecule to another in Open Babel - it
Hi,
I am currently upgrading our code from openbabel 2.4.2 to openbabel 3.0 (using
the python bindings).
I am having trouble with the EndModify command.
What the code is doing:
1. Load a pdb file and a mol2 file of an amino acid (aa_mol) into seperate
obMols
2. Set both ObMol to
