On Wed, Mar 16, 2016 at 10:58 AM, Jean-Marc Nuzillard <
[email protected]> wrote:
>
> thank you for this efficient answer.
>
> Just one question.
> How would have it been possible for me to arrive at this answer
> without your help?
>
It's a good question. Often the answer to questions like this are "only if
you read the code", but this is one of those rare instances where some
documentation actually exists.
This document:
http://www.rdkit.org/docs/RDKit_Book.html
lists the common property tags that the RDKit uses and includes:
molfileAlias the mol file alias for an atom (follows A tags), read
from/written to CTABs
Atom.SetProp() is then the normal way to set properties on atoms.
-greg
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