Re: [ccp4bb] Phaser question, twinning, DIALS, suggestions welcome

2014-10-01 Thread Jurgen Bosch
Thanks Randy, so from your reply it seems that cutoff is differently treated. And if I interpret your email correctly it is better to provide Phaser with a truncated versus a full data set. I tried both cases, but I had assumed that if you restrict the resolution within Phaser it would be the s

Re: [ccp4bb] Phaser question, twinning, DIALS, suggestions welcome

2014-10-01 Thread Graeme Winter
Dear Jurgen, Thanks for your interest in DIALS - we are working hard at the moment on testing the software and finding bugs (and fixing them!) and I would say right now it's not quite ready for the general user, but we do plan to make an alpha release of the software before the end of the year. Wh

Re: [ccp4bb] Phaser question, twinning, DIALS, suggestions welcome

2014-10-01 Thread Randy Read
Hi again, I should have mentioned that, if you have a good enough model, it’s often possible to solve the structure in P1. The molecular replacement solution will settle on one of the twin domains (or you may end up with more than one solution, related by the twin law(s)). Then the symmetry o

Re: [ccp4bb] Phaser question, twinning, DIALS, suggestions welcome

2014-10-01 Thread Randy Read
Hi Jurgen, You could send me a logfile off-list, and maybe I would spot something in there. We’ve put some effort into putting more intelligence into the Phaser search, so that it adapts to the initial perceived difficulty of the problem in setting the initial parameters, and then adapts to ind

[ccp4bb] Phaser question, twinning, DIALS, suggestions welcome

2014-09-30 Thread Jurgen Bosch
Dear BB, or in particular Phaser developers :-) This must be part of British humor right (or was that the Canadian influence Randy) ? eLLG indicates that placement of ensemble "ensemble_1" will be straightforward The data are sufficient to exceed the eLLG target The search space is finite 14