phasematch is in the GUI E
Graeme Winter wrote:
Hi David, There is a clipper utility called "cphasematch" which will do exactly this. More info here: http://www.ysbl.york.ac.uk/~cowtan/clipper/clipper.html or you can get the updates against ccp4 6.0.2 through the ccp4 downloads pages. Cheers, Graeme 2008/8/6 David Waterman <[EMAIL PROTECTED]>:Hi, I have a SAD dataset in F23 that I have solved using both SHELX (via hkl2map) and phenix, and for my own obscure reasons I want to compare the results. Both SHELXD and phenix.hyss find 2 sites and both pipelines go on to produce protein-like maps. I opened the heavy atom sites in Coot and was surprised to find that the two sets of sites were different - that is, they were not related by crystallographic symmetry. However, after looking a little deeper, I found the tool phenix.emma, which told me that the sites were indeed related, by a translation of {0.25, 0.25, 0.25}. I must admit I'm confused about how this can be the case (I thought there was only one choice of origin?), but I'd still like to compare the results. I can easily edit one of the pdb files of the heavy atom sites to cause the required translation, however in order to translate the maps for comparison in Coot I need to do something more complicated, like rotate all of the phases in one of the MTZ files by a various amounts. How can I change an MTZ file to result in a real space translation of the electron density? Cheers David
