Dear Marius, could the 'refinement exclude' keyword for refmac5 help? refinement exclude all from [residue] [chain] to [residue] [chain]
Best regards, Martin On Tue, 2024-03-05 at 14:06 +0100, Ilme Schlichting wrote: > Dear Marius, > > Thomas discussed this issue in great detail in the supplement of our > recent publication > https://www.nature.com/articles/s41586-024-07032-9 > > Good luck, > > Ilme > > On 28/02/2024 17:43, Marius Schmidt wrote: > > Dear All, > > can someone quickly update me with a > > way to refine a mixture of structures in > > refmac or phenix. > > For example, the mixture consists of > > 80 % structure 1 and 20 % structure 2. > > It is important that structure 1 is kept > > fixed (is not refined) and only structure > > 2 is varied. > > > > Best > > Marius > > > > > > Marius Schmidt, Dr. rer. Nat. (habil.) > > Professor > > University of Wisconsin-Milwaukee > > Kenwood Interdisciplinary Research Complex > > Physics Department, Room 3087 > > 3135 North Maryland Avenue > > Milwaukee, Wi 53211 > > phone (office): 1-414-229-4338 > > phone (lab): 414-229-3946 > > email: [email protected] > > https://uwm.edu/physics/people/schmidt-marius/ > > <https://uwm.edu/physics/people/schmidt-marius/> > > https://sites.uwm.edu/smarius/ <https://sites.uwm.edu/smarius/> > > https://www.bioxfel.org/ <https://www.bioxfel.org/> > > Nature News and Views: > > https://www.nature.com/articles/d41586-023-00504-4 > > <https://www.nature.com/articles/d41586-023-00504-4> > > > > > > ------------------------------------------------------------------- > > ----- > > > > To unsubscribe from the CCP4BB list, click the following link: > > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> > > > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
