Re: [ccp4bb] ctruncate bug?

2013-06-23 Thread Jrh
Dear Tom, I find this suggestion of using the full images an excellent and visionary one. So, how to implement it? We are part way along the path with James Holton's reverse Mosflm. The computer memory challenge could be ameliorated by simple pixel averaging at least initially. The diffuse scatte

Re: [ccp4bb] query regarding RMSD calculation

2013-06-23 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear ansuman, 'rmsd' stands for 'root mean square deviation', i.e. in the context of your first question you must sum the _square_ of the atomwise deviations and then take the square root. question two: I contradict: residues ARE static in this conte

[ccp4bb] X-ray course in Oulu, Finland, September 16-20, 2013

2013-06-23 Thread Rik Wierenga
The X-ray course at the University of Oulu, Department of Biochemistry in week-38, September 16-20, 2013. The course is aimed at providing hands-on training for data collection and data processing with our in-house equipment. The Bruker data collection unit will be available for course participan

[ccp4bb] query regarding RMSD calculation

2013-06-23 Thread ansuman biswas
Dear all,     I have 2 queries regarding RMSD calculation and interpretation. 1. When 2 residue stretches are superposed using CCP4 superpose, the log file shows the atomwise-deviations between matched residue pairs. How to find the total deviation/RMSD between a specified residue pair -

Re: [ccp4bb] ctruncate bug?

2013-06-23 Thread Boaz Shaanan
Hi Douglas, So will you and/or other participants in this fascinating and informative thread pick up the glove and implement the suggestions made here? At least we'll know if it makes a change to our data. In any case I doubt that it can harm.  Cheers,           Boaz Boaz Shaanan, Ph.D. Dep