Adding support for residues to design

dauparas / ProteinMPNN

Code for the ProteinMPNN paper

MIT License

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Adding support for residues to design #17

Closed gezmi closed 1 year ago

gezmi commented 2 years ago

Hi,

wonderful tool, however it is a bit hard to use when trying to design an interface. When I have only a couple of AAs for design and a lots of fixed ones, it is tedious to list all the fixed ones. Is it possible to include a script to which we only provide a list of enabled positions? Thank you!

dauparas commented 2 years ago

Hello,

Yes, check this example: https://github.com/dauparas/ProteinMPNN/blob/main/examples/submit_example_4_non_fixed.sh

gezmi commented 2 years ago

Thank you very much!!!