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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