On Nov 23, 2009, at 12:02 AM, Pavel Afonine wrote:
just to remove some of my ignorance,... and sorry in advance for a stupid question: What is "(...) Dano maps in CCP4 using phases from your current model (...)". If you tell me exactly what it is I might be able to add this to PHENIX family of tools (or at least put it to to-do list)...
The existing tools already do this. Some CCP4 (or associated) programs preserve the anomalous differences as a separate pair of columns DANO,SIGDANO, even when the original F+/F- have been averaged together and are no longer present in the file. (I don't know why this is considered a good idea, but I have files to prove it...) So you can take DANO and PHI from another file and make an anomalous difference map. I think that's what Mark was talking about - it's a little confusing, because if I recall correctly ccp4i allows you to make two types of anomalous map, and I think the difference is whether you use F+/F- or DANO. We could probably add a feature to combine DANO and model phase information, but if F+/F- are present this is unnecessary - and everyone should really keep the anomalous data handy anyway. -------------------- Nathaniel Echols Lawrence Berkeley Lab 510-486-5136 [email protected]