On 18/02/11 14:42, Andrew Purkiss-Trew wrote:
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.
Thanks all for that. This is top of the to-do list now.
Paul.
