﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
8207	Fake Atom Error	kristen.browne@…	Eric Pettersen	"{{{
Am seeing the below error for three different entries:
A quicksubmit of PDB 4HHB and the two attached files.

Let us know if this is fixable or something we should try to deal with on our end.

Thanks!
...
add_nonstandard_res_charges(session, res_list, estimate_net_charge(res_list[0].atoms),
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/add_charge/charge.py"", line 289, in add_nonstandard_res_charges
session.change_tracker.add_modified(a, ""charge changed"")
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/atomic/molobject.py"", line 2153, in add_modified
f(self._inst_to_int(modded), modded._c_pointer, reason.encode('utf-8'))
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/atomic/molobject.py"", line 2238, in _inst_to_int
raise AssertionError(""Unknown class for change tracking: %s"" % inst.__class__.__name__)
AssertionError: Unknown class for change tracking: FakeAtom
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/core/__main__.py"", line 747, in init
run(sess, 'runscript %s' % script)
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/core/commands/run.py"", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/core/commands/cli.py"", line 2897, in run
result = ci.function(session, **kw_args)
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/core/commands/runscript.py"", line 38, in runscript
open_python_script(session, open(script_file, 'rb'), script_file, argv=argv)
File ""/usr/lib/ucsf-chimerax-daily/lib/python3.9/site-packages/chimerax/core/scripting.py"", line 90, in open_python_script
raise UserError('Error opening python file %s' % stream.name)
chimerax.core.errors.UserError: Error opening python file /usr/local/lib/python3.9/site-packages/nih_3d_workflows/flows/chimerax_flow/chimera_x_scripts/cx_unified.py


Kristen Browne, MSc, MscBMC
Contractor - MSC, Inc. | A Guidehouse Company
3D Modeling and Biovisualization Specialist
Bioinformatics and Computational Biosciences Branch (BCBB)<https://www.niaid.nih.gov/research/bioinformatics-computational-biosciences-branch>
OCICB/OSMO/OD/NIAID/NIH

5601 Fishers Lane, Room 4A60
Rockville, MD 20852
Office 202-253-5228


}}}

[attachment:""4hhb-max-hemoglobin.pdb""]

[attachment:""hemoglobin-obj03.pdb""]
"	defect	closed	normal		Structure Editing		fixed		michal.stolarczyk@…				all	ChimeraX
