VMD-L Mailing List

From: Peter Schmidtke (peter.schmidtke_at_discngine.com)
Date: Tue Jul 07 2020 - 07:28:19 CDT

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