Thanks Angel, I’m looking into load data now actually.
The positions don’t matter for my purposes, I just need to create
JmolMolecule data types so some existing code I have can operate on this
custom format in the same manner it operates on other formats.
On 14 September 2014 13:31, Angel Herráez <[email protected]> wrote:
Dave, if you do not have coordinates, how would you expect Jmol to position
> the atoms?
> Note that when Jmol reads Smiles, I think it does not build the molecule,
> but
> goes to a server that will provide it with 3D coords.
>
> I think that instead of loading a model file with your format, you might
> achive
> it using script and maybe the data command to **build** the molecule inside
> Jmol. But the question about what coordinates to use is there.
>
>
>
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