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Add chain ipTM#3

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samuelmurail wants to merge 2 commits intosokrypton:mainfrom
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Add chain ipTM#3
samuelmurail wants to merge 2 commits intosokrypton:mainfrom
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@samuelmurail
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Hello,

I struggled to extract the chain_num from asym_id tracer, that seemed trivial, but with the jax library (first experience for me), it was impossible for me.
So I add to extract it from c.embeddings_and_evoformer.max_relative_chain.

chain_iptm and the whole ptm_matrix are added to the confidence_metric dictionnary.

Concerning the whole ptm_matrix I think it should be saved as the pae matrix, to later be treated and for example extract the interface iptm as in af2complex.

I will also do a pull request on colabfold to save the chain_iptm and ptm_matrix is the json output.

Cheers,
Samuel

@milot-mirdita
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milot-mirdita commented Jul 8, 2024

Thanks a lot!
The AF2 changes need to go on top of https://github.com/steineggerlab/alphafold to include them in colabfold

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