[ccp4bb] Continuous-Single Versus Coarse-Multiple Sampling

2015-01-22 Thread Keller, Jacob
Dear Crystallographers, This is more general than crystallography, but has applications therein, particularly in understanding fine phi-slicing. The general question is: Given one needs to collect data to fit parameters for a known function, and given a limited total number of measurements, is

[ccp4bb] Postdoc position for long-wavelength MX at Diamond Light Source

2015-01-22 Thread Armin Wagner
Dear all, Just before Christmas we were able to collect first protein crystal data at the long-wavelength MX beamline at Diamond (as you might have seen in my presentation at the CCP4 Study Weekend). The combination of the in-vacuum sample environment and the single-photon counting detector (i

[ccp4bb] CCP4-6.5 Update 002

2015-01-22 Thread Charles Ballard
Dear CCP4 Users An update for the CCP4-6.5 series has just been released, consisting of the following changes * crank2 (all) - Several bug fixes, mainly related to the graphical interface and Crunch2 * clipper-progs (all) - ctruncate: fix to issue with estimation of alpha in Murray-Rust pl

Re: [ccp4bb] chloride or water

2015-01-22 Thread Seijo, Jose A. Cuesta
At the risk of derailing the discussion, can it be that the blob is actually an accumulation of many Fourier ripples? (on top of bulk solvent, I guess). The “chloride” seems to be about 3.5Å away from a lot of atoms, with nothing closer. This is mostly based on intuition and the fact that in my e

Re: [ccp4bb] chloride or water

2015-01-22 Thread Bernhard Rupp (Hofkristallrat a.D.)
After reading this exchange, I think at the core of the dispute is the question what a structure model really is supposed to represent (a), and how to annotate/describe it (b). ad (a) In general, and forgive me for not disclosing all caveats and fine tune (I leave this to GB), we are in