Hey all,
I have a structure with three chains in the asymmetric unit. When I
select "Refine/Improve Ramachandran Plot" from Extensions/All Molecule,
coot does its thing until it reaches the end of the second chain, then
stops with the errors pasted below. It says something about alternate
conformations, but they have all been removed. When I execute
(stepped-refine-protein-for-rama 2), coot seems to do the same thing,
but finishes the entire protein. (It even checks every water molecule...)
Any ideas why the coot extension should fail while the scheme function
executes happily? Oh, I should say I'm using coot 0.6-pre-1 rev. 2189
on RHEL 5.4beta).
Thanks
Andreas
Little window with error message:
In /csb/soft/Linux/src/coot0.6pre/share/guile/gtk-2.0/gtk.scm:
147: 0* [apply #<procedure #f ()> ()]
In unknown file:
?: 1 [#<procedure #f ()>]
In /csb/soft/Linux/src/coot0.6pre/share/coot/scheme/fitting.scm:
...
216: 2 (let* ((imol-map #)) (func (car *multi-refine-spec-list*)
imol-map) ...)
217: 3* [fit-protein-rama-fit-function (4 "B" -10000 #f) 1]
176: 4 (let ((imol #) (chain-id #) (res-no #) ...) (let (# #) (map #
#) ...))
180: 5 (let (# #) (map # #) ...)
182: 6* [map #<procedure #f (alt-conf)> ...
191: 7* [residue-alt-confs 4 "B" -10000 #f]
In /csb/soft/Linux/src/coot0.6pre/share/coot/scheme/coot-utils.scm:
1497: 8 [reverse ...
1498: 9* [f ...
1498: 10* [residue-info 4 "B" -10000 #f]
/csb/soft/Linux/src/coot0.6pre/share/coot/scheme/coot-utils.scm:1498:21:
In procedure SWIG_Guile_scm2newstr in expression (residue-info imol
chain-id ...):
/csb/soft/Linux/src/coot0.6pre/share/coot/scheme/coot-utils.scm:1498:21:
Wrong type argument in position 1: #f
In shell where coot was started:
INFO:: replace_coords: 15 atoms updated.
INFO:: graphics_info_t::clear_up_moving_atoms...
DEBUG:: in safe_python_command_with_return() pValue is 0x897e86c
clearing intermediate object...
------------ ERROR! -------------------
moving_atoms_asc_type not known: 0
------------ ERROR! -------------------
INFO:: graphics_inf
--
Andreas Förster, Research Associate
Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
http://www.msf.bio.ic.ac.uk
