alphafold icon indicating copy to clipboard operation
alphafold copied to clipboard

Option to run AlphaFold-multimer with the two monomers already folded

Open Rampakslue opened this issue 3 years ago • 2 comments

Is there any way that AlphaFold-multimer could be run by inputting the output files of previously folded monomers instead of having to fold both as part of the process? It could drastically save time as two proteins could be folded in parallel before a final multimer interaction job. It could also be useful for proteins that have already been folded.

Rampakslue avatar Nov 05 '21 20:11 Rampakslue

There is no garantee monomers will even make any sense without the other parts.

ValZapod avatar Mar 12 '22 10:03 ValZapod

when running multimer, the output log contains lines (pasted below) indicating that monomer is run on each input chain individually. Would be really great if this part of the computation could be provided as an input!!!

I0808 19:31:16.264654 140383485704000 pipeline_multimer.py:210] Running monomer pipeline on chain A: proteinA I0808 21:24:10.014532 140383485704000 pipeline_multimer.py:210] Running monomer pipeline on chain B: proteinB

genya avatar Aug 09 '22 21:08 genya