Re: [Jmol-users] Jmol "3D-SCULPT" mode

[Thomas S. <tho...@gm...>]

>From my perspective, the capability for a medicinal chemist to sit down with
a protein:ligand complex and "click out" modification ideas onto the current
bound ligand (with realtime minimization/regularization/rectification) would
make this a killer app in that community.  The recent developments with the
workbench and smiles strings etc would appear to be placing this within
reach!

-Tom



On Wed, May 19, 2010 at 3:46 PM, Robert Hanson <ha...@st...> wrote:

> Jmol users:
>
> Idea: Capability to turn on a "molecular model kit" feature that would
> allow quick construction (modification or extension) of molecular models
> within Jmol.
>
> Questions:
>
> Q: Is that a good idea or not? Is it time to develop this?
>
> Q: How hard would this be?
>
> Q: What features would make it a "killer app"?
>
> Q: Want to help?
>
> Bob
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> If nature does not answer first what we want,
> it is better to take what answer we get.
>
> -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
>
>
> ------------------------------------------------------------------------------
>
>
> _______________________________________________
> Jmol-users mailing list
> Jmo...@li...
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>