Thanks very much for the replies, and especially for the link to the previous thread on this topic (Eva). Just a comment about the ccp4i GUI in general - pretty much all the students in my department are slowly becoming dependant on the GUI because it is so much easier to use for those brought up using MS windows. However, is it really fair to be distributing the GUI as a "finished" product when it has so many limitations, and in this particular case is just plain misleading? Although I applaud the idea of making crystallography more user friendly, is it not just asking for trouble (and bad science) when software is written that gives the illusion that things are more straight forward than they actually are? Simon
________________________________ From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Eva Kirchner Sent: 09 May 2007 17:37 To: [email protected] Subject: Re: [ccp4bb] Refmac and B factors Hi Simon, you can't stop it - I asked the same question (with some more questions) some weeks ago. You can find the original email and the tips I got for not-so-good resolution B-factor refinement here: http://www.mail-archive.com/[email protected]/msg01224.html Good luck, Eva 2007/5/9, Kolstoe S.E. <[EMAIL PROTECTED]>: Dear all, I have a structure at fairly low resolution that I am trying to refine with Refmac. I do not want to refine B factors so have arbitrarily set them all to 20 and then run refmac in the ccp4i GUI after deselecting the "refine temperature factors" box. However, when I look at the resulting pdb file my B factors vary from 2 to 90. Is Refmac just calculating my B factors or is it still refining them, and if the latter how can I stop it? Thanks, Simon
