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Hi, apropos a comment I made in a post last week: > As an aside, arguably FC/PHIC should contain the solvent contribution > (in which case the PHIC column will be redundant), since we use it to > compute Fc maps for real-space density correlation with 2mFo-DFc maps > and ideally we should be correlating estimates of the same thing! can I ask: 1. Who uses the FC/PHIC columns from Refmac? 2. What do you use them for? 3. Does the way you use them require that the disordered solvent contribution be excluded (as now), or ideally should it be included (as I would like)? 4. Finally is there an alternative way of getting the total Fcalc for the entire model (within CCP4 & preferably using FFT - I'm aware other packages can do this). For example, according to the documentation, sfcheck uses an ad hoc 'soft resolution cutoff' which essentially excludes the disordered solvent contribution from Fcalc, but I'm not convinced that this is the right way to go to take proper account of it. -- Ian ********************************************************************** CONFIDENTIALITY NOTICE This email contains confidential information and may be otherwise protected by law. Its content should not be disclosed and it should not be given or copied to anyone other than the person(s) named or referenced above. If you have received this email in error, please contact [EMAIL PROTECTED] **********************************************************************
