On Wednesday, August 20, 2014, Michał Nowotka <[email protected]> wrote:
>
> I've just checked and actually adding this flag doesn't solve my problem.
> It seems that adding this flag actually calls Compute2dCoords (at
> least this is how it looks like), because all coordinates are computed
> from scratch, for example if my compound was translated by some vector
> on 2D plane, after executing addHs it will be centered, if the
> compound had one atom dragged unusually, it will be aligned back.
>
> The only difference between this flag and calling Compute2dCoords is
> that H bonds are longer, which actually looks worse...
>
>
Hmmm, that doesn't sound like what is supposed to happen. I think that
it should just add coords for the Hs that it adds. I will take a look
tomorrow morning to see what is going on. There may be something odd for
2d conformers, but I really don't think it should redo the whole
coordinate generation.
-greg
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