Re: [ccp4bb] MR and pseudo-translationnal-symmetry

2012-03-13 Thread Eleanor Dodson
I would try molrep - it will detect the NC translation and use it.. Eleanor On Mar 13 2012, vincent Chaptal wrote: Dear ccp4, I have a case of PTS and wonder what's the best strategy to handle my data. I processed my data in C2 with a=161 b=109 c=225 beta=104. The data in 97% complete to 3,

Re: [ccp4bb] MR and pseudo-translationnal-symmetry

2012-03-13 Thread Garib N Murshudov
There are 3 options: 1) Use molrep. If you have two copies related with PST then it can give right solution 2) Take the latest version of phaser and use it. It can deal with PST with two related copies also 3) Reduce cell dimensions (it does not seem to be possible in your case. PST is not exac

Re: [ccp4bb] MR and pseudo-translationnal-symmetry

2012-03-13 Thread Randy Read
Dear Vincent, The easiest thing for you to do right now in the CCP4 context is to run Molrep, with the flag for PTS turned on. If that works and gives a clear solution, that's great. If not, then I'd suggest downloading a recent version of Phenix and trying the new version of Phaser that hand

[ccp4bb] MR and pseudo-translationnal-symmetry

2012-03-13 Thread vincent Chaptal
Dear ccp4, I have a case of PTS and wonder what's the best strategy to handle my data. I processed my data in C2 with a=161 b=109 c=225 beta=104. The data in 97% complete to 3,8A. xtriage detected a 40% peak in the patterson at fractional coordinates x=-0,001 y=0,055 z=0,5. I want to try to