search

kalininalab / alphafold_non_docker

AlphaFold2 non-docker setup
338 stars 119 forks source link

Efficient use of multimer mode #59

Closed mpgriesh closed 1 year ago

mpgriesh commented 1 year ago

Hi, I am trying to fold heteromeric multimers of one protein against 100s of others. Is there a way to save the structural prediction of the first protein to make this more efficient than submitting #fastas equal to the number of other proteins and refolding the first protein every time?

Old-Shatterhand commented 1 year ago

Hi @mpgriesh,

I'm not hundred percent sure if I understand what you try to do. But from what I understand, I think the problem relates more to AlphaFold than to the Docker-free setup. Maybe this issue can help you.

Best, Roman

mpgriesh commented 1 year ago

Thanks Roman,

Yes, this is an AlphaFold issue. The setup is working well for me. Thanks for your help.