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patrickbryant1 / Umol

Protein-ligand structure prediction
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Multiple chains in protein sequence #4

Closed rajatpunia closed 7 months ago

rajatpunia commented 7 months ago

Thanks for sharing the Umol code, it is a highly helpful resource. I want to try it on a protein with multiple (4) chains. Each chain contains around 900 residues and ligand interacts with residues from all 4 chains. I want to use only a subset of residues near the binding site as an input sequence. Is it possible to run Umol for such a case? If yes, how can i do it? e.g. what should be the format of sequence for MSA and Umol?

patrickbryant1 commented 7 months ago

Hi, we have not added this possibility. You can try to make paired MSAs and concatenate the full sequence. This should work in principle, but we have not tried.