google-deepmind / google-deepmind/alphafold
Forcing known disulfide bridges to be formed
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- Python
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Description
I was wondering about the functionality to add known information to Alphafold. Specifically, is there any way to confer that we know about a specific disulfide bridge? For instance a restraint to force two atoms within bonding distance, or manual input to the templates or MSA? If not, is this something that might be implemented in the future? It would be extremely useful to be able to include experimentally known information like this as input.
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