Re: [ccp4bb] Potential Space Group Issue

2011-07-09 Thread harry powell
;-) Bert From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Raji Edayathumangalam [r...@brandeis.edu] Sent: Friday, July 08, 2011 3:24 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Potential Space Group Issue Oops sorry for the slippery finger

Re: [ccp4bb] Potential Space Group Issue

2011-07-08 Thread Pavel Afonine
__ > From: CCP4 bulletin board [CCP4BB@JISCMAIL.AC.UK] On Behalf Of Raji > Edayathumangalam [r...@brandeis.edu] > Sent: Friday, July 08, 2011 3:24 PM > To: CCP4BB@JISCMAIL.AC.UK > Subject: Re: [ccp4bb] Potential Space Group Issue > > Oops sorry for the slippery

Re: [ccp4bb] Potential Space Group Issue

2011-07-08 Thread Van Den Berg, Bert
K] On Behalf Of Raji Edayathumangalam [r...@brandeis.edu] Sent: Friday, July 08, 2011 3:24 PM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Potential Space Group Issue Oops sorry for the slippery fingers. I meant h00, 0k0 and 00l in my original email and NOT "00h, 00k, 00l". Note

Re: [ccp4bb] Potential Space Group Issue

2011-07-08 Thread Raji Edayathumangalam
Oops sorry for the slippery fingers. I meant h00, 0k0 and 00l in my original email and NOT "00h, 00k, 00l". Note the correction especially if you are a first-year graduate student trying to learn stuff from these emails :) Raji On Thu, Jul 7, 2011 at 11:30 PM, Raji Edayathumangalam wrote: > He

Re: [ccp4bb] Potential Space Group Issue

2011-07-08 Thread Ed Pozharski
Raji, Assuming that the real space group is P212121, in P21 you will still get a solution except for the extra NCS which will closely resemble the extra 2-fold screw. Then you can probably tell if there are any significant differences between NCS-related copies that justify lower symmetry space g

Re: [ccp4bb] Potential Space Group Issue

2011-07-07 Thread Frederic VELLIEUX
Well you could have a monoclinic space group with beta = 90....0001, which for everyone would mean 90.0 degrees. You could also have beta = exactly 90 by pure chance. Normally the R-sym values should tell you which of the two possibilities is the correct one. If you obtain (an example) R-sy