Anton Chugunov
Anton Chugunov
> see sequence_tokenizer.py Brief look into it suggests that there might be a way for multi-chain support, but can you provide an example where it works? I'm interested in multimeric...
Of cause this feature is needed. It's awkward to see only backbone coordinates in the output, especially after mentioning "atom37 representation" in the tutorial
This is a chunk of a molecule from MD trajectory: created in CharmmGui and computed in Gromacs. Protein model was based on a TRPA1 experimental structure, most probably it was...
Brian, first I thought this all is Prolif issue, so I was in touch with it's developer Cédric Bouysset, who proposed go deeper into the code and wrote some RDKit...
@greglandrum @bp-kelley do you think it's possible to fix something inside RDKit?
Thank you! I'll be waiting and inform you if that fixed the problem with prolif, as well
@bp-kelley should I wait until this would be committed into next release of the library in order to update it and test my code?
Is it's scheduled for some certain date? If it's soon, it would be easier to wait. But if not / not known, could you please provide an instruction where to...
Thank you @bp-kelley and @cbouy, now with temporary fix [prolif works](https://github.com/chemosim-lab/ProLIF/issues/290#issuecomment-3135788914)!