Open gcroci2 opened 8 months ago
This issue is stale because it has been open for 30 days with no activity.
I think I just ran into this this now. I have a 4 chain protein that I'd like to train a net on. Looks like the query collection programs are only set up for a single chain or two chain complex. What should I do in this case?
Hi @lloydtripp , thanks for reaching out!
Just checking in to see what exactly you are trying to do, as it may be possible already in the current setup, even with a 4-chain structure. Can you let us know whether you want to train for protein-protein interfaces or a single residue variants?
SingleResidueVariantQuery
you can specify the chain where the variant resides.ProteinProteinInterfaceQuery
you can specify the 2 chains between which the interface exists.Is your use case not covered above? Please let us know and we can see if we can help you out or whether it is something we can add to the todo list :)
Hi @DaniBodor ,
I'm looking to train a model that predicts pathogenicity based on residue substitutions on a single chain for a protein that exists as a tetramer. I agree with you that the SRV makes more sense for my case. I initially assumed that PPI was the correct query but that's not the case. Problem solved!
Try it out and let us know if you run into any snags.
Glad you commented on this. It made us realize that we should (and will) update the README to make things clearer (#585).
This issue is stale because it has been open for 30 days with no activity.
get_contact_atoms
in pdb2sql has already anallchains
parameter.get_contact_atoms
as it is? (All interfaces according to a cutoff distance will be selected).