Hi, Bernhard,
To clarify my previous e-mail, in both cases the maps are being
calculated from weighted coefficients from an MTZ file output by the program.
I tried calculating a weighted 2Fo-Fc map in CCP4i using the PHENIX
MTZ file and the end-result (red bars) was the same.
Pedro.
At 09:23 17-01-2013, Bernhard Lohkamp wrote:
Hi Pedro,
this is due to the map sampling (which seems different between the
two programs). Anyway, for now you can change the weighting manually:
Extensions->Refinement->Set Density Fit Graph Weight
B
On 17/01/2013 10:11, Pedro M. Matias wrote:
Hi,
I encountered a strange problem while running the "Density Fit Analysis"
widget on a structure refined with PHENIX. All residues are represented
with a red bar (see picture) with low CC.
Using the same input coordinate and MTZ file in REFMAC produces normal
"Density Fit Analysis" graphs (see picture).
I am at a loss to understand why this is happening...
This happens with both 0.6.2 and 0.7 versions of Coot.
Best regards,
Pedro.
Industry and Medicine Applied Crystallography
Macromolecular Crystallography Unit
___________________________________
Phones : (351-21) 446-9100 Ext. 1669
(351-21) 446-9669 (direct)
Fax : (351-21) 441-1277 or 443-3644
email : [email protected]
http://www.itqb.unl.pt/research/biological-chemistry/industry-and-medicine-applied-crystallography
http://www.itqb.unl.pt/labs/macromolecular-crystallography-unit
Mailing address :
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--
***************************************************
Dr. Bernhard Lohkamp
Assistant Professor
Div. Molecular Structural Biology
Dept. of Medical Biochemistry and Biophysics (MBB)
Karolinska Institutet
S-17177 Stockholm
Sweden
phone: (+46) 08-52487651
fax: (+46) 08-327626
email: [email protected]
Industry and Medicine Applied Crystallography
Macromolecular Crystallography Unit
___________________________________
Phones : (351-21) 446-9100 Ext. 1669
(351-21) 446-9669 (direct)
Fax : (351-21) 441-1277 or 443-3644
email : [email protected]
http://www.itqb.unl.pt/research/biological-chemistry/industry-and-medicine-applied-crystallography
http://www.itqb.unl.pt/labs/macromolecular-crystallography-unit
Mailing address :
Instituto de Tecnologia Quimica e Biologica
Apartado 127
2781-901 OEIRAS
Portugal
