[ccp4bb] problems with ccp4-6.4.0 occurrences in ccp4-6.5

2015-01-23 Thread vellieux
Hello, I just installed ccp4-6.5 I get an error at run time (relating to $PATH I suppose, see below) that still contains occurrences of ccp4-6.4.0 even though the line that was supposed to get rid of these was made active in ccp4.setup-csh # To remove previously added CCP4 directories from

[ccp4bb] SHELX for Macromolecules Course

2015-01-23 Thread George Sheldrick
Immediately after the DGK Meeting in Goettingen, there will be an IRTG Methods Course on Macromolecular Applications of SHELX there on the afternoon of Thursday March 19th. See: http://shelx.uni-ac.gwdg.de/SHELX/workshops.php for details. George -- Prof. George M. Sheldrick FRS Dept.

Re: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-23 Thread Keller, Jacob
No wikipedia link yet? JPK -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Keller, Jacob Sent: Thursday, January 22, 2015 5:20 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling Dear

Re: [ccp4bb] problems with ccp4-6.4.0 occurrences in ccp4-6.5

2015-01-23 Thread Tim Gruene
Hi Fred, I had about the same problem that disappeared when I logged out and in again - just a new terminal was no help. Does that help in your case, too? Maybe there is an environment variable that gets appended by the setup script. Best, Tim On 01/23/2015 06:07 PM, vellieux wrote: Hello,

Re: [ccp4bb] Crystallography Workshop in South America - CCP4 / Institut Pasteur de Montevideo 2015

2015-01-23 Thread Alejandro Buschiazzo
Dear all, nasty auto-corrector”-driven mistake affecting Kay Diederichs’ name! My apologies! Sorry for the duplication…now duly written below (+ extra advertisement as well! ;) ) best wishes Alejandro On Jan 23, 2015, at 20:42, Alejandro Buschiazzo ale...@pasteur.edu.uy wrote: Dear

Re: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-23 Thread Ethan A Merritt
On Friday, 23 January, 2015 20:36:08 Keller, Jacob wrote: No wikipedia link yet? In practice the issue usually comes down to a consideration of the noise. Is the noise systematic? Is the signal/noise constant over time? If the noise is systematic, then repeated measurement of the same data

Re: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-23 Thread David Waterman
Hi Jacob, My intuition for the line fit case was exactly the opposite to yours. My reasoning is a sort of physical one. If you imagine the line as a stiff rod with hooks for masses evenly spread along its length at 10 positions, then the object where you put 5 masses at positions 1 and 10 has a

[ccp4bb] Crystallography Workshop in South America - CCP4 / Institut Pasteur de Montevideo 2015

2015-01-23 Thread Alejandro Buschiazzo
Dear colleagues, We are pleased to remind you about the Workshop: Macromolecular Crystallography School From data processing to structure refinement and beyond, to be held at the Institut Pasteur de Montevideo (Uruguay). Dates: April 6 - 16, 2015 Invited speakers and tutors: Alejandro

[ccp4bb] BALBES exits after searching the internal database

2015-01-23 Thread Pooja Kesari
Hi all Im trying to use BALBES locally to perofrm MR. I have given mtz file and sequence file as input. Upon successful completion of program it is giving an message #---# # Search for Structures with Similar Cell and Space Group #

Re: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-23 Thread Philip Kiser
Hi Jacob, It seems reasonable for your straight line case that the two would be equivalent. I would guess though that as the function to be fitted against becomes more complex (e.g. a rectangular hyperbola in enzyme kinetics) it would be advantageous to have more points of the independent

Re: [ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-23 Thread Graeme Winter
Dear Jacob, There are a multitude of directions you can go from here - a few comments spring to mind: - are repeated observations of the same reflection on the same part of the detector really independent? - for the wide phi sliced vs. fine sliced discussion the detector type matters a great

[ccp4bb] Announcement: Second International Summer School of Crystallography 2015, Hamburg, 7. - 13. June 2015

2015-01-23 Thread Oberthuer, Dominik
Second International Summer School of Crystallography 2015, Hamburg, 7. - 13. June 2015 (Application open - deadline 15th of March) Dear ccp4bb, We are pleased to announce the second International Summer School of Crystallography at the Center for Free-Electron Laser Science at DESY, Hamburg