Hi there, apologies for the previous email, hit the send button too early. Hope everyone could stand the suspense for the continuation of the story ;-) Here we go:
I am refining a 1.3AA structure for SSGCID using refmac5.5.102 or 109, OSX. A typical grey zone case for anisotropic refinement, yet it improves Rfactors by some 2%. A few B factors go a bit wild though: "MAKE_U_POSITIVE". Therefore, I try to restrain the sphericity using the SPHER keyword. Even though the logfile acknowledges the keyword, the refinements with spher=2 and spher=5 are identical. Is this keyword still active? Cheers Jan On Mon, Feb 8, 2010 at 6:29 AM, Jan Abendroth <jan.abendr...@gmail.com>wrote: > Hi there, > I am refining a 1.3AA structure for SSGCID using > -- > Jan Abendroth > Emerald BioStructures > Seattle / Bainbridge Island WA, USA > home: Jan.Abendroth_at_gmail.com > work: JAbendroth_at_embios.com > http://www.emeraldbiostructures.com > > > > > > > -- Jan Abendroth Emerald Biostructures Seattle / Bainbridge Island, WA, USA home: Jan.Abendroth_at_gmail.com work: JAbendroth_at_embios.com http://www.emeraldbiostructures.com
