Scoring with CCP4 electron density maps constraints

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

  • This topic has 0 replies, 1 voice, and was last updated 12 years ago by Anonymous.
Viewing 0 reply threads
  • Author
    • #1266

        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


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