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Distance constraints for amino acids pairs

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Distance constraints for amino acids pairs


I have a rough model of my target Protein in which I want to dock a (small) polypeptide.

I have some information about the protein structure via Cross-Linking experiments and want to apply them while generating the decoys.

Lets say I know that there is a distance of 10A between the C-Alphas of amino acid 1 and 15

Can I pass this information somehow, or do I have to check each decoy that the distance between my amino acids is in an acceptable range?

Ahh, I should tell you that I am totaly new to rosetta and just read the tutorial and manual, I could have missed the one or other hint about that.

Kind regards

Tue, 2010-05-18 05:39