Dear CCP4 community, I am refining several structures of multimeric protein-ligand complexes and I wanted to refine occupancy of the ligand. Manual definition of groups would be tedious and error prone considering that ASU contains 10 protein chains and 1-8 bound ligand molecules. Hence my idea was to define occupancy group for ligands using residue name, e.g. LIG.
According to manual page (http://www.ysbl.york.ac.uk/refmac/data/refmac_keywords.html) I could specify occupancy refinement group using chain, residue intervals, atom names and alt code. However, residue names are not mentioned inside “Occupancy refinement” paragraph. Is it possible to define occupancy groups in refmac5 using residue name? Kind regards, -- Evgenii Osipov Laboratory for Biocrystallography, Department of Pharmaceutical Sciences, KU Leuven O&N2 mobile: +32 484 38 26 01 ######################################################################## 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/
