On Thu, Jul 11, 2013 at 5:58 AM, George Phillips
Thanks, Nat this is helpful. Would you know the last version that did not have this requirement?
Probably 1.7.1, but there are many disadvantages to this - in particular the geometry isn't going to be nearly as good.
Are old versions still available? I suppose I could with a little help, I could lobotomize a version of phenix not to do this during refinement but check the structures later one by one. Its not clear to me why it would work fine for three copies but not four or more, so it might be 'fixable'?
I suspect it's simply not a scenario that the authors of Reduce envisioned when they wrote it. There may be a straightforward modification of Reduce that would fix the problem, but I think a more optimal solution would be to remove the dependency in phenix.refine entirely. I receive a lot of other bug reports coming from the same bottleneck (but I suspect for very different reasons). -Nat