This is happening because the code doesn't recognize 7 as a valid valence
state of As.
This is, as you note, inconsistent with how P is handled, which doesn't
make a lot of sense.
Fortunately, it's a fixable problem. :-)
On Tue, Nov 21, 2017 at 12:03 AM, Yoolhee Kim <yoolh...@andrew.cmu.edu>
wrote:
> Hello,
>
> I'm trying to get RDKIT to recognize LiAsF6 from the SMILES Formula
> "[Li+].F[As-](F)(F)(F)(F)F" but it seems that RDKIT will not read it
> correctly and is unable to create a molecule object.
>
> RDKIT is able to understand LiPF6 from the SMILES formula
> "[Li+].F[P-](F)(F)(F)(F)F" so I tried using that and replacing P with As
> using both replaceatom and replacesubstruct functions, but that had some
> issues as well.
>
> Has anyone faced a similar issue or have any suggestions?
>
> Thanks!
>
> -Yoolhee
>
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