Dear Sean,
I have noticed this and more to the point the geometry as assessed
by MOLPROBITY is much worse for
the latest version of REFMAC (3.0068).
I have tested a few other versions of REFMAC and the results vary
quite a lot.
For exactly the same run, I get the best results with an o
Hi all,
I have just installed the new CCP4I package for Windows, and refined a
structure I was working on using an older version (CCP4I 6.0.2), and the
refinement statistics are significantly worse when using the same input files.
Under Refmac 5.2 the details were:
$$
Ncyc Rfact Rfr
