Dear Andrea There are two ways as they were mentioned by Tim and Ian: 1) Using external restraints mechanism. You define something like (it is an example):
external plane first atom CA chain A residue 25 next atom CB chain B residue 50 next atom OG chain B residue 100 next atom CC chain C residue 2 sigma 0.02 You need to add one line per plane. It is better to define these restraints in a file and then read in external keywords part of the refmac5 interface of ccp4i 2) Define link and use planes there. Links are defined for pairs of residues. The best way of defining links is using JLigand that can be downloaded from (it should be available from ccp4 6.3 also): http://www.ysbl.york.ac.uk/mxstat/JLigand/index.html there are very good tutorials written by Andrey Lebedev for new ligands as well as how to define links and use them in refmac regards Garib On 28 Nov 2012, at 07:03, Andrea Pica wrote: > Hi everybody! > > Is there a simple way in REFMAC to restraints a group of atoms belonging to > different residues to lay on a plane? Of course I would like to set the sigma! > > Do I have to add any line in the PDB header? Is it that simple? > > Thank you very much! > > Andrea > > > Andrea Pica, Ph.D. student > University of Naples "Federico II" > Department of Chemical Sciences - Room 1N-04 > Complesso Universitario Monte S. Angelo > Via Cintia > I-80126 Naples - Italy > Phone 39-081 674269 > Fax 39-081 674090 Dr Garib N Murshudov Group Leader, MRC Laboratory of Molecular Biology Hills Road Cambridge CB2 0QH UK Email: ga...@mrc-lmb.cam.ac.uk Web http://www.mrc-lmb.cam.ac.uk
