VMD-L Mailing List

From: Bassam Haddad (bhaddad_at_pdx.edu)
Date: Fri Dec 18 2020 - 13:21:00 CST

Thank you for the suggestion, generating the linear-potential.dx will be a
suitable solution to my problem!

I appreciate all the work y'all do for VMD!

Best,
Bassam Haddad

On Fri, Dec 18, 2020 at 8:50 AM John Stone <johns_at_ks.uiuc.edu> wrote:

> Hi,
> I don't believe we've (yet) added a Tcl binding that permits
> voxel-at-a-time editing of volumetric data. It would be
> relatively easy to do so however. In the short term, you might
> find it easy to write an ASCII DX file with the same grid size
> and other parameters, with the Z-based potentials you have in mind,
> and add that to your existing volume using the built-in commands.
>
> When I get a break from Windows/Mac build issues, I'll have a look
> at what APIs are exposed here. In principle, adding voxel-level
> access should not be hard, except that it would impact VMD's
> tracking of volumetric data updates, representation regeneration
> and redrawing, etc.
>
> Best regards,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Thu, Dec 10, 2020 at 02:18:23PM -0800, Bassam Haddad wrote:
> > Hello VMDers,
> > I am trying to generate a 'Total-potential.dx' from a constant e-field
> > simulation, where I need to add a linear potential to the
> > 'Reaction-potential.dx' that would be generated by the volmap plugin--000000000000d8799e05b6c20220--