Hi all, I tried the structure comparison in phenix validation and loaded seveeral structures and a sequence file. I started and than this strange error appears Did I specified something wrong? Best Regards Christian AssertionError : Traceback: File "/userdata-2/christian/phenix- dev-968/cctbx_project/libtbx/thread_utils.py", line 229, in run return_value = self._target(self._args, self._kwargs, self._c) File "/userdata-2/christian/phenix- dev-968/cctbx_project/libtbx/runtime_utils.py", line 72, in __call__ result = self.target() File "/userdata-2/christian/phenix- dev-968/phenix/phenix/automation/structure_comparison/__init__.py", line 1041, in __call__ analyses = run(args=list(self.args), log=sys.stdout) File "/userdata-2/christian/phenix- dev-968/phenix/phenix/automation/structure_comparison/__init__.py", line 1006, in run analyses = manager(params.structure_comparison, log=log) File "/userdata-2/christian/phenix- dev-968/phenix/phenix/automation/structure_comparison/__init__.py", line 196, in __init__ self.run() File "/userdata-2/christian/phenix- dev-968/phenix/phenix/automation/structure_comparison/__init__.py", line 250, in run self.process_alignment() File "/userdata-2/christian/phenix- dev-968/phenix/phenix/automation/structure_comparison/__init__.py", line 370, in process_alignment log=self.log) File "/userdata-2/christian/phenix-dev-968/cctbx_project/mmtbx/msa.py", line 262, in align_pdb_hierarchies assert (reference_hierarchy is None)
On Fri, Feb 3, 2012 at 8:24 AM, Christian Roth
I tried the structure comparison in phenix validation and loaded seveeral structures and a sequence file. I started and than this strange error appears Did I specified something wrong?
No, I did - for reasons that I can't remember, I deliberately made it impossible to specify a separate reference structure when the residue numbering is not assumed to be identical. There is probably some logical explanation for this, but since it seems to run okay without this restriction, I'm removing it, and the next available nightly build will fix the problem. For now, if you don't specify a reference structure it should run okay (and if the residue numbering is expected to be identical, the reference structure is still allowed). -Nat
participants (2)
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Christian Roth
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Nathaniel Echols