Currently there is the option to use the manual_ncs_ghosts function Paul mentioned in the last email.
I have already made an LSQ option for NCS detection which sits on my hard drive and will be included in due time (next few hrs/days), certainly for 0.5.1! Bernhard *************************************************** Dr. Bernhard Lohkamp Div. Molecular Structural Biology Dept. of Medical Biochemistry and Biophysics (MBB) Karolinska Institutet S-17177 Stockholm Sweden phone: (+46) 08-52487673 fax: (+46) 08-327626 email: [EMAIL PROTECTED] ----- Original Message ----- From: Phil Evans <[EMAIL PROTECTED]> Date: Monday, December 8, 2008 10:36 am Subject: Re: [COOT] defining NCS-related chains To: [email protected] > On the subject of NCS chains, Paul, I note that you are still using > > SSM superposition in determining NCS operators (unless it's been > changed _very_ recently), rather than the LSQ algorithm which would > > preserve the sequence register. SSM gets the wrong answer in some > cases, eg in some coiled-coil proteins such as BAR domains, where > an > out-of-register SSM superposition can give a lower score than the > in- > register one, and of course the correct NCS must be in register. > > You did say quite a long time ago that you going to change this :-) > > Best wishes > Phil >
