On 7 Dec 2011, at 10:08, Paul Emsley wrote: > On 07/12/11 09:47, Tim Gruene wrote: >> >> if you want coot to refine the bond length, you have to rename the >> residue to some name coot does not yet understand and create a cif-file >> which includes the restraints of the residue, the ligand, and the bond >> between the two. > > JLigand is the way to do this. > > (the interface to JLigand will be in Coot 0.7). > > Paul
It will be also possible to launch JLigand from CCP4 GUI starting from ccp4.6.3.0. Currently JLigand and tutorials can be downloaded from here: http://www.ysbl.york.ac.uk/mxstat/JLigand/index.html or from here: ftp://ftp.ccp4.ac.uk/JLigand/index.html Andrey
