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.

[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

[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

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