Re: [ccp4bb] Monodihydrosterculin

2014-11-25 Thread Sean Seaver
Hi Pius, I just checked Monodihydrosterculin against our database of more than 1 million antibodies and we aren't seeing anyone that normally offers this product for sale. Take Care, Sean Seaver, PhD P212121 http://store.p212121.com/

[ccp4bb] Monodihydrosterculin

2014-11-25 Thread Pius Padayatti
Hi friends Does anybody have Monodihydrosterculin that can be shared? or anybody can direct to a source to buy Thanks Pius -- P

Re: [ccp4bb] Free Reflections as Percent and not a Number

2014-11-25 Thread Tim Gruene
Hi Ed, it is an easy excercise to show that theory (according to "by definition") and reality greatly diverge - refinement is too complex to get back to exactly the same structure. Maybe because one often does not reach convergence, no matter how many cycles of refinement you run. Best, Tim On

Re: [ccp4bb] Free Reflections as Percent and not a Number

2014-11-25 Thread Edward A. Berry
provided the jiggling keeps the structure inside the convergence radius of refinement, then by definition the refinement will produce the same result irrespective of the starting point (i.e. jiggled or not). If the jiggling takes the structure outside the radius of convergence then the origina

Re: [ccp4bb] Free Reflections as Percent and not a Number

2014-11-25 Thread Dirk Kostrewa
Dear CCP4ers, I can only second Ian's observation: also in my experience, it is sufficient to run enough cycles of conventional refinement to get rid of any previous bias after changing the free set of reflections, or omitting parts of the structure. I don't have the results anymore, but if my

Re: [ccp4bb] Free Reflections as Percent and not a Number

2014-11-25 Thread Ian Tickle
Dear All I'd like to raise the question again of whether any of this 'jiggling' (i.e. addition of random noise to the co-ordinates) is really necessary anyway, notwithstanding Dale's valid point that even if it were necessary, jiggling in its present incarnation is unlikely to work because it's un

[ccp4bb] 2014 BCA Biological Structures Group Winter Meeting: in Grenoble, France

2014-11-25 Thread Edward MITCHELL
***Dear CCP4ers, * *Just a reminder for the exciting 2014 BCA-BSG Winter Meeting which is taking place exceptionally at the European Photon and Neutron (EPN) Campus (hosting the European Synchrotron Radiation Facility and the Institute Laue Langevin), Grenoble, France on 15-17 **December 2014