[ccp4bb] X-ray equipment available

2012-03-31 Thread Steiner, Roberto
Full Rigaku R-axis IIC Image Plate X-ray diffraction system We would like to offer a complete macromolecular diffraction system free of charge to anyone prepared to pay (up-front) the shipping costs from our laboratory to theirs. The system consists of a R-axis IIC area detector, Rigaku

[ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bosch, Juergen
really fascinating, bringing back the discussion for a repository for your collected frames. Jürgen Acta Cryst. (2012). F68, 366-376 doi:10.1107/S1744309112008421http://dx.doi.org/10.1107/S1744309112008421 Detection and analysis of unusual features in the structural model and

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bernhard Rupp (Hofkristallrat a.D.)
Hi Fellow BBers, I wish to point out that a) this is not an April fool’s joke, b) but on the other hand it shows (a little buried in the recommendations, and misspelled AFTER proofing) that people who properly do catalogue and preserve images actually can fix deposition errors

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Nian Huang
I don't model zero occupancy in my model. But can't the refinement programs just treat those atoms with zero occupancy as missing atoms? Nian Huang On Sat, Mar 31, 2012 at 10:26 AM, Bosch, Juergen jubo...@jhsph.edu wrote: really fascinating, bringing back the discussion for a repository for

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bernhard Rupp (Hofkristallrat a.D.)
This is an unresolved problem, and no real satisfactory solution exists, because the underlying reasons for zero occupancy can be different. For people who understand this and look at electron density, it is not a problem. For users who rely on some graphics program displaying only atom

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Michel Fodje
Very interesting Response to Detection and analysis of unusual features in the structural model and structure-factor data of a birch pollen allergen doi:10.1107/S1744309112008433 a quote from the response: Author Schwarzenbacher admits to the allegations of data fabrication and deeply

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Anastassis Perrakis
Reading the paper from Dr. Hofkristallrat a.D. and the editorial in ActaF, I must say that besides the rather reasonable demand for journals to include crystallography experts as referees, Table 1 would have fooled me as referee. A validation report of the VTF style might not had helped either

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Kevin Jin
Nice paper ! I really wish PDB could have some people to review those important structures, like paper reviewer. If the coordinate is downloaded for modeling and docking, people may not check the density and model by themself. However this is not the worst case, since the original data was

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Pavel Afonine
Given a data set (Fobs or Iobs) and atomic model it is not trivial at all to tell whether they are real or fabricated. I looked into this problem for quite some time at some point, and developed my set of criteria that thoroughly attempt to distinguish between fake and real, but they can only be

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Tom Peat
Bernard went to a lot of work to verify that this structure was wrong, so we should also thank him for his efforts. It is good to see someone who has a hunch follow that up and let the rest of us know about it. Thanks Bernard! Tom Peat Biophysics Group CSIRO, CMSE 343 Royal Parade

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Kevin Jin
Keeping Bernard's book as reference, it is the best way. Kevin On Sat, Mar 31, 2012 at 4:56 PM, Tom Peat tom.p...@csiro.au wrote: Bernard went to a lot of work to verify that this structure was wrong, so we should also thank him for his efforts. It is good to see someone who has a hunch

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bosch, Juergen
I still believe Prof. Dr. Hofkristallrat außer Dienst, is written as Bernhard - unless you are referring to some other guy with a french name Bernard. And the book indeed is a bible of xtallography. Jürgen On Mar 31, 2012, at 11:05 PM, Kevin Jin wrote: Keeping Bernard's book as reference, it

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bernhard Rupp (Hofkristallrat a.D.)
Hofkristallrat außer Dienst, is written as Bernhard - unless you are referring to some other guy with a french name Bernard. As one may extrapolate given my recent paper, I have been called names a lot worse…. Ø And the book indeed is a bible of xtallography. Enough of this - it

Re: [ccp4bb] very informative - Trends in Data Fabrication

2012-03-31 Thread Bernhard Rupp (Hofkristallrat a.D.)
Btw, Table 1 would have fooled me as referee. Not if the bulk solvent parameters would be reported or validated. See recommendations. Best, BR