[phenixbb] A couple of questions regarding twinning
jonathan.elegheert at ugent.be
Thu Jun 3 08:05:36 PDT 2010
refinement of 4-domain twinning has been reported in CNS with adapted
input scripts; see;
The scripts are available through the IUCR electronic archive as
Maybe this can be helpful for your case.
Unit for Structural Biology& Biophysics
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)?
>> 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?
>>> If so, is there a way of specifying and using multiple
>>> twinning domains/operators?
>> Currently phenix.refine is limited to a single twin operator.
>> phenixbb mailing list
>> phenixbb at phenix-online.org
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