"DeLano, Warren" wrote:
> Right now I'm not sure the sculpting feature is more than entertainment, but
> my expectation is that it >will become part of PyMOL's crystallographic model
> building system in the future.
I agree. I think it has great potential there, as it allows for a more
"physical
Molecular sculpting works like a real-time energy minimizer, except that it
isn't minimizing the energy. Instead, its just trying to return local atomic
geometries (bonds, angles, chirality, planarity) to the configuration the
molecules possess when they were first loaded into PyMOL.
To actu
patricia.a.elk...@gsk.com wrote:
> I would like to understand the molecular sculpting possibilities of pymol
> but haven't been able to figure it out yet. When using the wizard, the
> first request is to click and atom but how to proceed from there?
>
> I have used the bit of script provided on th
