Thank you guys. I will try and let you know if there is a problem. I realy appreciate your suggestions.
Ivan On Thu, Jul 15, 2010 at 10:16 AM, Ed Pozharski <[email protected]>wrote: > But of course. This is what mixed refinement is for - the easiest was > to get it to work is probably somehow generating anisou records for all > the atoms and then doing something like "egrep -v 'ANISOU|HOH'" on the > pdb file. Mixed refinement will then refine only the atoms with > pre-existing anisou records (e.g. non-waters) anisotropically. > > On Thu, 2010-07-15 at 10:06 -0700, xaravich ivan wrote: > > Dear CCP4bb, > > > > Can I refine anisotropic ADPs for macromolecule only, while isotropic > > ADPs for water, simultaneously in ccp4? I have a 1.1.5 Angs data and > > when I refine anisotropically the rfactor/rfree difference is 6. Is it > > true that if I could refine the macromolecule anisotropically and the > > waters isotropically it would result in better R values? > > > > Ivan > > -- > "I'd jump in myself, if I weren't so good at whistling." > Julian, King of Lemurs > >
