Re: [ccp4bb] AW: [ccp4bb] query regarding RMSD calculation

2013-06-24 Thread Frank von Delft
could be highly significant. My 2 cts, Herman -Ursprüngliche Nachricht- Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Tim Gruene Gesendet: Sonntag, 23. Juni 2013 19:54 An: CCP4BB@JISCMAIL.AC.UK Betreff: Re: [ccp4bb] query regarding RMSD calculation -BEGI

[ccp4bb] AW: [ccp4bb] query regarding RMSD calculation

2013-06-24 Thread Herman . Schreuder
] query regarding RMSD calculation -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. questi

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] 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 -