You can try EDSTATS in CCP4 to get the numbers you want. This works very well for us.


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Van: Andreas Heine
Verzonden: ‎3-‎6-‎2015 15:43
Aan: [log in to unmask]
Onderwerp: [ccp4bb] calculation of map correlation coefficient


I tried to use the program map correlation to calculate the 
correlation between a small molecule ligand and the corresponding 
electron density on a per residue basis. Even so the ligand is 
non-peptidic, the program lists values for main- and side-chain. Is 
there a command which can be used to calculate a combined overall 
correlation coefficient?

Thanks in advance for any advice,