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Use DeepMSA2 output in ColabFold or AlphaFold

Posted: Wed Mar 13, 2024 3:28 pm
by Qiping
Dear DMFold authors,

Thank you very much for the very useful tool. I am trying to use DeepMSA output as the input into ColabFold, but ColabFold needs MSA for both paired sequences and the two sequences alone. May I ask how I can derive the desired format from DeepMSA output? If DeepMSA can work with AlphaFold, I am also happy to learn how to put DeepMSA output into AlphaFold. Meanwhile, if DMFold itself can accept custom MSAs and templates, I am also eager to learn how to use it because I have many similar sequences - whose MSAs and templates can be the same - to predict structure from. Any help or guidance is highly appreciated!

Thanks!
Qiping

Re: Use DeepMSA2 output in ColabFold or AlphaFold

Posted: Fri Mar 15, 2024 2:53 am
by jlspzw
Dear user,

DeepMSA2 and DMFold can output paired MSA and single MSAs. you can find one example in DMFold example folder
example/AF2Models/aMSA-aMSA/multi2.2-v4/seq/msas/paired.aln and example/AF2Models/aMSA-aMSA/multi2.2-v4/seq/msas/A

DMFold itself accepts customs MSAs, and you can check details at DMFold/bin/alphafold_multimer/run_alphafold_mymsa.sh

Let us know if you have any questions.

Best Regards
Wei Zheng