Hi all,
puzzled by an increase of R-factors when switching to the new ccp4 and
along with it from refmac 5.5.0063 to 5.5.066, I took a closer look.
Same refinement, same input (in fact, started from the interface with
re-run job) gives distinctly different statistics. It appears to be
only a function of the refmac version, not the ccp4/interface version.
Both refinements were done with a fixed w (0.4), the geometry stays
about the same.
refmac Rwork Rfree RMSDb RMSDan
5.5.0063 0.1682 0.2118 0.0204 1.717
5.5.0066 0.1781 0.2247 0.0205 1.764
Any ideas?
Cheers
Jan
--
Jan Abendroth
deCODE biostructures
Seattle / Bainbridge Island WA, USA
work: JAbendroth_at_decode.is
home: Jan.Abendroth_at_gmail.com
