Digging further, it looks like loading as xyz is the way to go. I believe
this can be used with (Jmol)Viewer#loadInline(strXyz).
How can xyz format be output from a JmolMolecule instance programmatically?
David
On 3 February 2013 13:30, N David Brown <[email protected]> wrote:
Ok thanks Bob.
>
> I've written a force-directed layout mechanism to avoid any concerns over
> sensitive data being transmitted from my application.
>
> It calls JmolNode#set(x,y,z) to set the generated positions.
>
> Could someone please tell me how I can display a JmolMolecule in a Viewer/
> JmolViewer?
>
> I've been looking through the code API but can't see a means to do so.
>
> Equally I haven't spotted a script command that'll enable this.
>
> A solution would be to output the molecule in xyz format and load it I
> suppose. But is there a neater way?
>
> Many thanks.
>
> David
>
> On 3 February 2013 08:27, Bob Hanson <[email protected]> wrote:
>
>
>> So in short. They do not have to have any database structure to convert
>> SMILES to 3D. I don't know the algorithm used.
>>
>>
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