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dauparas / LigandMPNN

MIT License
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Full-atom output PDB #1

Open BJHardy opened 10 months ago

BJHardy commented 10 months ago

Hi Justas, thank you for making this code available!

The output PDBs only contain backbone residues but have the residue names are consistent with the designed sequence. Is there a way to get output PDBs containing sidechain information?

dauparas commented 10 months ago

Hello! Yes, I am planning to add the code to do this soon.

JasonIsaac-Lofty commented 10 months ago

Hello! Yes, I am planning to add the code to do this soon.

Thank you for your great work! If I want to get the full-atomic output now, what should I do? The location of the ligand or metal will be lost when I tried to use protein structure prediction software.

BJHardy commented 9 months ago

Thanks Justas! Do you have an update on when the all-atom output will be available?

amelie-iska commented 7 months ago

Any updates on this? I would love to have sidechain conformations.