On Mon, 2011-02-14 at 17:44 +0000, Paul Emsley wrote: > On 14/02/11 17:21, Peter Simone wrote: > > I'm having a similar problem. > > You mean this one? > > > Failure to find grid coordinate uvw = ( -14, 34, 21) > > Xmap: Internal map ASU error - P 2ac 2ab Nuvw = ( 68, 69, 75) > > terminate called after throwing an instance of 'clipper::Message_fatal' > > > > I'm running Coot on Mac OS X and when I try to do Real Space Refine Zone > > using Ramachandran restraints I get essentially the exact same error > > message and the program closes. When I use Coot on Linux (CentOS) I don't > > have this problem. Any ideas what could be causing this? Thank you, > > Hmm... I am not sure if that is an Apple compiler issue, a version issue > or a bug that is hidden/benign in CentOS, but critical under Mac OSX... > > Before I go hunting on the Mac (not a favourite occupation) let's be > clear if this is > > 1) a map issue (does this happen when you refine against other maps?) > 2) a refinement issue > 3) an issue when Rama restraints are turned on > 4) a structure-dependent issue...
Just to say that I've got this problem as well. Running under linux (RHEL 5.6) using the Centos 5 download (build 3331). As Peter said, it seems to happen when refining using Ramachandran restraints when a residue with alternate conformations is involved.
