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nrbennet / dl_binder_design

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for symmetric multimers #36

Closed jongseo-park closed 10 months ago

jongseo-park commented 1 year ago

Hi,

I generate hexameric multimer using RFdiffusion.

And then, I want to perform validation whether the designed hexameric multimers will be formed as is or not.

So, I tried to follow the AF2 initial guess protocol mentioned in the supplementary data of the RFdiffusion paper as follows,

/opt/tools/dl_binder_design/af2_initial_guess/predict.py -silent des.silent

but there was an error like this,

Struct with tag run_1_0_mpnn failed in 0 seconds with error: <class 'Exception'>

Currently this code is not available for symmetric multimers ?

Sincerely,

Jongseo

nrbennet commented 10 months ago

This repository provides scripts which run ProteinMPNN and AF2 for binder design. These scripts will not generalize to larger assemblies, unfortunately. The base functions of these scripts are a nice starting point for writing scripts which will generalize to larger assemblies though!