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Hello Jakob--
> for i in range(3):
> protocol.genExtendedStructure("kffe_extended"+str(9099+i*100)+".pdb")
> '''
> output:
> X-PLOR>end
> genExt.py(16): for i in range(3):
> genExt.py(17):
> protocol.genExtendedStructure("kffe_extended"+str(9099+i*100)+".pdb")
> %ATMCHK-ERR: Unknown coordinates
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> BOMLEV= 0 reached. Program execution will be terminated.
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> Subroutine DIE called . Terminating
> ------------
>
Please place these lines before line 16:
for atom in AtomSel("not known"):
print atom.string()
This will tell you which atoms do not have coordinates defined, and
should thus help in debugging the problem.
best regards--
Charles
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