Re: [ccp4bb] Proper detwinning?

On Wed, Jul 9, 2014 at 5:14 PM, Chris Fage wrote: > Despite modelling completely into great electron density, Rwork/Rfree > stalled at ~38%/44% during refinement of my 2.0-angstrom structure > (P212121, 4 monomers per asymmetric unit). Xtriage suggested twinning, > with <|L|> = 0.419, = 0.245, a

[ccp4bb] Proper detwinning?

Hi Everyone, Despite modelling completely into great electron density, Rwork/Rfree stalled at ~38%/44% during refinement of my 2.0-angstrom structure (P212121, 4 monomers per asymmetric unit). Xtriage suggested twinning, with <|L|> = 0.419, = 0.245, and twin fraction = 0.415-0.447. However, there

[ccp4bb] Hello

​​ ​​ Hi, How are you today, view the documents i uploaded for you via Google docs CLICK HERE . Gengxiang Zhao

Re: [ccp4bb] question about powder diffraction

Thank you all for the helpful discussions. sincerely, Kianoush On Jul 9, 2014, at 2:49 AM, Tim Gruene wrote: > -BEGIN PGP SIGNED MESSAGE- > Hash: SHA1 > > Hi Colin, > > On 07/09/2014 09:52 AM, Colin Nave wrote: >> [...] "If the whole diffraction process is considered as an >> interfe

Re: [ccp4bb] Naccess

Hello, i cited this program with : Hubbard, S.J., and Thornton, J.M. (1993). NACCESS (Computer Program, Department of Biochemistry and Molecular Biology, University College London."). I am not absolutly certain that's th best way. Nicolas De : CCP4 bulle

Re: [ccp4bb] Naccess

Am 09.07.2014 17:02, schrieb Armando Albert: Dear all, Does anyone know how to properly cite Naccess for calculation of solvent accessible area (http://www.bioinf.manchester.ac.uk/naccess/)? Armando This might be help: 2. The publication of research using the Software should reference Hubb

[ccp4bb] Naccess

Dear all, Does anyone know how to properly cite Naccess for calculation of solvent accessible area (http://www.bioinf.manchester.ac.uk/naccess/)? Armando

Re: [ccp4bb] question about powder diffraction

-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Colin, On 07/09/2014 09:52 AM, Colin Nave wrote: > [...] "If the whole diffraction process is considered as an > interference problem then the contributions are not confined to > the Bragg condition." Isn't this how textbooks on crystallography us

Re: [ccp4bb] question about powder diffraction

According to the Online Etymology dictionary ( http://www.etymonline.com/index.php?term=reflection): reflection (n.) [image: Look up reflection at Dictionary.com] late 14c.,

Re: [ccp4bb] question about powder diffraction

I think Gerard has answered the original question. To introduce additional complications (do people want complications?), there is apparently an issue with the ease of getting reflections in a powder pattern. A new theory for X-ray diffraction Fewster, P. F. (2014). Acta Cryst. A70, 257-282. h