Yes Im using wxc_scale and wxu_scale but I also use tls refinement,so in this case if the weights need to be tightly restrained, I should not use tls refinement!
********************************** Mohd A. Salameh, Ph.D. Mayo Clinic Cancer Center Griffin Cancer Research building,Rm 331 4500 San Pablo Rd Jacksonville, FL 32224 Tel: (904) 953-0046 Fax: (904) 953-0277 salameh.m...@mayo.edu ********************************** -----Original Message----- From: Phil Jeffrey [mailto:pjeff...@princeton.edu] Sent: Friday, March 12, 2010 12:37 PM To: Salameh, Mohd A., Ph.D. Subject: Re: [ccp4bb] phenix target weight refinement Use wxc_scale and wxu_scale not wxc and wxu. If you're doing TLS it will ignore wxu_scale either way. Salameh, Mohd A., Ph.D. wrote: > *Dear All,* > > *In every** refinement** round** the** wxc and wcu** are out of control, > although I modify the def file and** change the values** ** of** wxc=1 > and wxu=1** so they are tightly restrained**, but it fail**ed** to** > fix the problem,** wxc and wxu** values**** keep fluctuating,**** in my > latest** refinement** round wxc=256!!** wxu=3. The** Stereochemistry > looks** very** loosely restrained** and the** gap between R-free and > R-work** is** too big**. I**'**ve been using phenix for almost 4 years > and** never had this problem,** or once** I** set the values of wxc and > wxu that will be it, never change.** I** also tried to fix wxc from the > command line and** didn't** work either (phenix.**refine refine.def > fix_wxc=1.0).**** I** will certainly** appreciate** any help**. Thanks, > Mohd**** ** * > > ****************************************** > > *****Mohd A. Salameh, Ph.D.* > > Mayo Clinic Cancer Center > > Griffin Cancer Research building,Rm 331 > > 4500 San Pablo Rd > > Jacksonville, FL 32224 > > Tel: (904) 953-0046 > > Fax: (904) 953-0277 > > salameh.m...@mayo.edu > > **************************************** >
