Reuse MSA for multiple alphafold complex models?
1
0
Entering edit mode
10 months ago
Suicyte ▴ 10

I am using a local installation of alphafold 2 for predicting the structures of two-protein complexes. Now, i plan to model complexes of a big protein A with many alternative (small) partners B1, B2, B3 etc. I seems a waste of CPU power to always re-do the extensive database searches for the A component. Is it possible to re-use the MSA folder (part A) generated in the first model for the subsequent models?

alphafold • 554 views
ADD COMMENT
1
Entering edit mode
10 months ago

It appears that you may want to check out this pipeline https://github.com/KosinskiLab/AlphaPulldown.

(It does exactly what you are describing).

ADD COMMENT

Login before adding your answer.

Traffic: 2006 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6