You can try EDSTATS in CCP4 to get the numbers you want. This works very well for us.
Cheers, Robbie Sent with my Windows Phone ________________________________ Van: Andreas Heine<mailto:hei...@mailer.uni-marburg.de> Verzonden: 3-6-2015 15:43 Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Onderwerp: [ccp4bb] calculation of map correlation coefficient Hi, 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, Andreas
