Scoring with CCP4 electron density maps constraints

Member Site Forums PyRosetta PyRosetta – General Scoring with CCP4 electron density maps constraints

Viewing 0 reply threads
  • Author
    Posts
    • #1266
      Anonymous

        Dear all,

        I have electron densities of the interface residues in CCP4 files and I want to evaluate my docking/designed models against them. It seems that Rosetta can take the “density scores” as an individual term and add it to the total Rosetta score. I am wondering if it is possible to access these functions from PyRosetta, like those living in core.scoring.electron_density. And moreover, how to calculate the pairwise scores between specific interface residues and corresponding electron densities? Any suggestions about how it works in Rosetta are also appreciated.

        Many thanks

        xfliu

    Viewing 0 reply threads
    • You must be logged in to reply to this topic.