Re: [ccp4bb] Differences between refmac_5.5 and refmac_5.2

2010-10-08 Thread Garib N Murshudov
Hi the reason could be that refmac converts all aniso B to iso B when you do overall B value refinement. Without data it would be difficult to test and give definite answer. regards Garib On 9 Oct 2010, at 00:15, Hailiang Zhang wrote: > Hi, > > I found there are many changes between refmac_

[ccp4bb] Differences between refmac_5.5 and refmac_5.2

2010-10-08 Thread Hailiang Zhang
Hi, I found there are many changes between refmac_5.5 and refmac_5.2. For example, the key word "REFI BREF OVER" will result in totally different results under these 2 versions. Based on my input PDB with anisotropic B pre-refined, refmac_5.5 gave a much higher R/Rfree than refmac_5.2. Can somebod