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Scoring with CCP4 electron density maps constraints

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Scoring with CCP4 electron density maps constraints
#1

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

Post Situation: 
Thu, 2012-05-03 03:30
xfliu