[chimerax-users] SMILES Input With ChimeraX

Victor Blaga blagav at mcmaster.ca
Wed Jun 5 09:38:02 PDT 2019


Hi Elaine,

Seems I have ignored the fact that ChimeraX is still in active production
-- sorry about that! Thank you for the clarification, makes perfect sense.

Best,

Victor

On Wed, Jun 5, 2019 at 11:58 AM Elaine Meng <meng at cgl.ucsf.edu> wrote:

> Hi Victor,
> Currently there is no SMILES fetch in ChimeraX.  However, the lack of a
> feature does not mean it has been “dropped” necessarily, as there are many
> features in Chimera that are not (yet) in ChimeraX.  There will be more
> features in ChimeraX as we develop it… it’s not even version 1.0 yet!
>  However, as far as I know, no decision has been made as to whether SMILES
> fetch will be added.
> I hope this clarifies the situation,
> Elaine
> -----
> Elaine C. Meng, Ph.D.
> UCSF Chimera(X) team
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
>
> P.S. The ChimeraX “change log” shows when various important features were
> added (shows past/present but not future):
> <https://www.rbvi.ucsf.edu/trac/ChimeraX/wiki/ChangeLog>
>
> > On Jun 4, 2019, at 4:54 PM, Victor Blaga <blagav at mcmaster.ca> wrote:
> >
> > Hello,
> >
> > I am just wondering if there is a way to input a SMILES string with
> ChimeraX, as with Chimera? I can't seem to find it in the documentation so
> I just want to confirm this functionality has indeed been dropped?
> >
> > Thank you,
> >
> > Victor Blaga
> >
> > Research Assistant
> > McMaster University
> > Department of Biochemistry and Biomedical Sciences
>
>
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