Re: [ccp4bb] Fwd:

2014-07-10 Thread Pavel Afonine
> How we can define NCS in phenix.refine. > phenix.refine uses torsion ncs and top-out restraints target, which all in all means no need to do anything special apart from enabling using ncs in refinement. Details: http://journals.iucr.org/d/issues/2014/05/00/rr5054/index.html Acta Cryst. (2014)

Re: [ccp4bb] Proper detwinning?

2014-07-10 Thread Isupov, Michail
I would recommend to run ZANUDA in the default mode from ccp4i or on CCP4 web server. ZANUDA has resolved several similar cases for me. Misha From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] on behalf of Chris Fage [cdf...@gmail.com] Sent: 10 July 2014

Re: [ccp4bb] Naccess

2014-07-10 Thread sreetama das
hi, I found the following reference in a paper- Hubbard S. PhD thesis. University College of London, Department of Biochemistry and Molecular Biology; 1992. NACCESS: a Program for Calculating Accessibilities. On Wednesday, 9 July 2014 8:20 PM, FOOS Nicolas wrote: Hello, i cited this pro

Re: [ccp4bb] question about powder diffraction

2014-07-10 Thread Colin Nave
Tim Yes the diffraction pattern can certainly be seen as an interference phenomena. However, this paper disagrees that "everything except the Bragg peaks vanishes in the noise". The (simple) Bragg condition assumes an infinite lattice whereas the lattice is truncated in real samples. The origin

[ccp4bb] New PDB validation reports

2014-07-10 Thread Katherine Sippel
Hi all, I've been playing with the new PDB validation service. It is very pretty and kudos to all the hard work that has clearly gone into it. I did notice however that the way the information is presented, there seems to be a bias towards truncating side chains versus modeling them with higher b-

Re: [ccp4bb] New PDB validation reports

2014-07-10 Thread Debasish Chattopadhyay
Glad you brought it up Katherine. Debasish From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Katherine Sippel Sent: Thursday, July 10, 2014 2:26 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] New PDB validation reports Hi all, I've been playing with the new PDB validation se

[ccp4bb] Postdoctoral Position in Complex Carbohydrate Biosynthesis

2014-07-10 Thread Jochen Zimmer
Dear colleagues, I would like to draw your attention to an open postdoctoral position in my laboratory. The DOE-funded position aims at unraveling how processive membrane-embedded glycosyltransferases synthesize, assemble and secrete polysaccharides. Polysaccharides represent the most abundan