VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Tue Jul 07 2020 - 08:15:37 CDT

you can just email your changes to vmd_at_ks.uiuc.edu

axel.

On Tue, Jul 7, 2020 at 8:52 AM Peter Schmidtke <
peter.schmidtke_at_discngine.com> wrote:

> Hi all,
>
> what is the best way today to extend the pdbx reader of the molfile
> plugin. We'd need to capture the ATOM/HETATM tags from pdbx files which is
> not done in the current integration.
>
> We do not want to fork the code on our side (in order to be able to update
> for later additions in the molfile plugin), but are not sure on how to
> contribute to the source code of VMD ourselves to integrate that as there's
> no github repo available to the best of our knowledge.
>
> Any guidance would be welcome
>
> Thanks
>
> Peter & Maël
>
> PS: This integration is current ongoing in the fpocket project ->
> https://github.com/Discngine/fpocket
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.