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Kevin - thanks for the info, & yes an anisotropy correction would be nice! Cheers -- Ian > -----Original Message----- > From: Kevin Cowtan [mailto:[EMAIL PROTECTED] > Sent: 24 October 2005 12:21 > To: Ian Tickle > Cc: [email protected] > Subject: Re: [ccp4bb]: FC/PHIC in MTZ output from Refmac. > > Ian Tickle wrote: > > 1. Who uses the FC/PHIC columns from Refmac? > > Me. > > > 2. What do you use them for? > > I originally used them for making reference structures for pirate. I > don't use them any more.... > > > 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)? > > It should be included. The fact that it is not included was > the reason I > stopped using it and wrote 'csfcalc' and 'cmakereference' instead. > > > 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). > > 'csfcalc'. This does pretty much what zero cycles of refmac does, and > gets pretty much identical results, *except* that it doesn't do an > anisotropy correction. I'll fix that one day. > > ********************************************************************** 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] **********************************************************************
