/aniso B's
?
Cheers,
Boaz
- Original Message -
From: Ed Pozharski epozh...@umaryland.edu
Date: Thursday, July 15, 2010 20:16
Subject: Re: [ccp4bb] anisotropic/isotropic
To: CCP4BB@JISCMAIL.AC.UK
But of course. This is what mixed refinement is for - the
easiest
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
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
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 epozh...@umaryland.eduwrote:
But of course. This is what mixed refinement is for - the easiest was
to get it to work is probably somehow
