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The format to specify Zn ion in ligand.fasta file?

Open guomei88 opened this issue 1 year ago • 1 comments

Thanks the team for providing such an amazing tool! How to specify Zn ion binding to protein in ligand.fasta file? Thanks!

guomei88 avatar Feb 17 '25 09:02 guomei88

You don't have to specify anything from the fasta file, you only need to change SEQVENCE from the following .yaml file to include in the CCD section the presence of ZN:

-protein: id: A sequence: MY_SEQVENCE

  • ligand: id: B ccd: ZN

JesusSeco avatar Mar 25 '25 18:03 JesusSeco