Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Pavel Afonine
Have a look at this: Acta Cryst. (2007). D63, 597-610 Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models T. C. Terwilliger, R. W. Grosse-Kunstleve, P. V. Afonine, P. D. Adams, N. W. Moriarty, P. Zwart, R. J. Read, D. Turk and L.-W. Hung Pavel. O

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Das, Debanu
nal Message- From: CCP4 bulletin board on behalf of Bryan W. Lepore Sent: Fri 3/28/2008 8:57 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Model ensemble for x-ray crystallography > At 10:13 AM 3/28/2008, Lucas Bleicher wrote : >> Some time ago I've heard about the ide

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Frances C. Bernstein
PDB entries 1LYZ, 2LYZ, 3LYZ, 4LYZ, 5LYZ, 6LYZ all have the same reference: Diamond, R. (1974) Real-space refinement of the structure of hen egg-white lysozyme. J.Mol.Biol. 82: 371-391 I believe they are independent refinements using the same experimental data. I do not have access to the jo

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Bryan W. Lepore
At 10:13 AM 3/28/2008, Lucas Bleicher wrote : Some time ago I've heard about the idea of proposing an ensemble of models (as in NMR), instead of a single model for x-ray crystallography structures. If I remember correctly, this idea has been published somewhere. Can anyone tell me what article

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Das, Debanu
. Regards, Debanu. -Original Message- From: CCP4 bulletin board on behalf of Lucas Bleicher Sent: Fri 3/28/2008 8:13 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Model ensemble for x-ray crystallography Some time ago I've heard about the idea of proposing an ensemble of models (as i

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Gerhardt, Stefan
. Structure (Camb). 12:831-838 and many more just google for RAPPER modelling server cheers Stefan -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] Behalf Of Lucas Bleicher Sent: 28 March 2008 15:13 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Model ensemble for x-ray

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread price
Didn't that trick very successfully lower the R-factors of the completely wrong models that led to the Great Pentaretraction? Unless you have stunningly high resolution, beware. Phoebe At 10:13 AM 3/28/2008, you wrote: Some time ago I've heard about the idea of proposing an ensemble of m

Re: [ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Santarsiero, Bernard D.
On Fri, March 28, 2008 10:13 am, Lucas Bleicher wrote: > Some time ago I've heard about the idea of proposing > an ensemble of models (as in NMR), instead of a single > model for x-ray crystallography structures. If I > remember correctly, this idea has been published > somewhere. Can anyone tell m

[ccp4bb] Model ensemble for x-ray crystallography

2008-03-28 Thread Lucas Bleicher
Some time ago I've heard about the idea of proposing an ensemble of models (as in NMR), instead of a single model for x-ray crystallography structures. If I remember correctly, this idea has been published somewhere. Can anyone tell me what article is that? Lucas Abra sua conta no Yahoo! M