[phenixbb] A couple of questions regarding twinning

[Jonathan Elegheert]

Hi Pietro,

refinement of 4-domain twinning has been reported in CNS with adapted 
input scripts; see;

http://www.ncbi.nlm.nih.gov/pubmed/15858272

The scripts are available through the IUCR electronic archive as 
supplementary material;

http://journals.iucr.org/d/issues/2005/05/00/wd5026/wd5026sup1.zip

Maybe this can be helpful for your case.

Jonathan

-- 
Jonathan Elegheert
Ph.D. Student

Unit for Structural Biology&  Biophysics
http://www.lprobe.ugent.be/xray.html

Lab for Protein Biochemistry and Biomolecular Engineering
Department of Biochemistry&  Microbiology
Ghent University, Belgium

e-mail: jonathan.elegheert at ugent.be


Op 6/3/2010 4:36 PM, Peter Zwart schreef:
> Hi Owen,
>
> R = |Fobs - Wcalc|/Fobs
>
> Wcalc = sqrt( alpha Fcalc1^2  + Fcalc2^2(1-alpha) )
>
>
> Sorry Pietro, only a single domain is possible at this moment.
>
> Map coefficients are such that effects of twinning are not present
>
>
>
>
> 2010/6/3 Owen Pornillos<owen at scripps.edu>:
>    
>> On a related note, how is the R factor calculated with twinned structures
>> (i.e., how is Fcalc determined for the purposes of R factor calculation)?
>> Thanks,
>> Owen
>>
>> On Jun 3, 2010, at 10:27 AM, Nathaniel Echols wrote:
>>
>> On Thu, Jun 3, 2010 at 6:52 AM, Pietro Roversi
>> <pietro.roversi at path.ox.ac.uk>  wrote:
>>      
>>> (see attached file) but only the last one seems to be used.
>>> Do I guess correctly that there is only provision for two domains
>>> adn therefore the last twinning definition overrides any
>>> previously defined one?
>>>        
>> Correct.
>>
>>      
>>> If so, is there a way of specifying and using multiple
>>> twinning domains/operators?
>>>        
>> Currently phenix.refine is limited to a single twin operator.
>> -Nat
>> <ATT00001..txt>
>>
>> _______________________________________________
>> phenixbb mailing list
>> phenixbb at phenix-online.org
>> http://phenix-online.org/mailman/listinfo/phenixbb
>>
>>
>>      
>
>
>    
-------------- next part --------------
A non-text attachment was scrubbed...
Name: jonathan_elegheert.vcf
Type: text/x-vcard
Size: 317 bytes
Desc: not available
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20100603/c0b4c577/attachment-0003.vcf>