Re: [ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Ed Pozharski
ilto:ccp...@jiscmail.ac.uk] Im Auftrag von > Walter Kim > Gesendet: Monday, March 16, 2009 7:22 AM > An: CCP4BB@JISCMAIL.AC.UK > Betreff: [ccp4bb] Twinned data and maps > > Hi again, > > Thanks for your insight into refinement tools for twinned data. I have a > coup

[ccp4bb] AW: [ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Clemens Steegborn
Dodson Gesendet: Monday, March 16, 2009 12:52 PM An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] AW: [ccp4bb] Twinned data and maps But dont all twinned refinement programs output detwinned terms for a map? Certainly REFMAC and SHELX do. Eleanor Clemens Steegborn wrote: > Hi Walter, > > You

Re: [ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Garib Murshudov
o try Phenix ... Best Clemens -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] Im Auftrag von Walter Kim Gesendet: Monday, March 16, 2009 7:22 AM An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Twinned data and maps Hi again, Thanks for your insight into refin

Re: [ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Eleanor Dodson
LWAYS to try more than one program, and also to try Phenix ... Best Clemens -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] Im Auftrag von Walter Kim Gesendet: Monday, March 16, 2009 7:22 AM An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Twinned data and

Re: [ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Anastassis Perrakis
program, and also to try Phenix ... Best Clemens -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] Im Auftrag von Walter Kim Gesendet: Monday, March 16, 2009 7:22 AM An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Twinned data and maps Hi again, Than

[ccp4bb] AW: [ccp4bb] Twinned data and maps

2009-03-16 Thread Clemens Steegborn
o:ccp...@jiscmail.ac.uk] Im Auftrag von Walter Kim Gesendet: Monday, March 16, 2009 7:22 AM An: CCP4BB@JISCMAIL.AC.UK Betreff: [ccp4bb] Twinned data and maps Hi again, Thanks for your insight into refinement tools for twinned data. I have a couple of twinned data sets that are nearly perf

Re: [ccp4bb] Twinned data and maps

2009-03-16 Thread Eleanor Dodson
I am not sure if there is any way of avoiding model bias if the coordinates are included regardless of whether there is twinning or not - my preferred method is to set the occupancies of suspect regions to 0.00 then do refinement of the better parts of the model and then check maps again and re

[ccp4bb] Twinned data and maps

2009-03-15 Thread Walter Kim
Hi again, Thanks for your insight into refinement tools for twinned data. I have a couple of twinned data sets that are nearly perfectly pseudomerohedrally twinned. I've begun to refine my data in Refmac5 (using the automated twin refinement), CNS (using the twin inputs) and Shelxl; I'm testing ou