id summary reporter owner description type status priority milestone component version resolution keywords cc blockedby blocking notify_on_close platform project 14481 SEQCROW: read_psi4_out: could not convert string to float rohan.cotton90@… Tony Schaefer "{{{ The following bug report has been submitted: Platform: Windows-10-10.0.19045 ChimeraX Version: 1.7 (2023-12-19 08:36:03 UTC) Description Maybe, using ""GeomeTRIC"" optimizer in psi4 cause this error. Log: Startup Messages --- warning | Your computer has Intel graphics driver 7323 with a known bug that causes all Qt user interface panels to be blank. ChimeraX can partially fix this but may make some panel titlebars and edges black. Hopefully newer Intel graphics drivers will fix this. UCSF ChimeraX version: 1.7 (2023-12-19) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out Summary of feedback from opening D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out --- error | unable to open benzene_tcne_r2scan3c.out Traceback (most recent call last): File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\dialog.py"", line 334, in _qt_safe run(session, ""open "" + "" "".join([FileNameArg.unparse(p) for p in paths]) + ("""" File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\run.py"", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 131, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 213, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 513, in collated_open return remember_data_format() ^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 484, in remember_data_format models, status = func(*func_args, **func_kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\\__init__.py"", line 597, in open return open_aarontools( ^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 57, in open_aarontools raise e File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 34, in open_aarontools fr = FileReader( ^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 1550, in __init__ self.read_psi4_out(f, get_all, just_geom) File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ ValueError: could not convert string to float: '--------' ValueError: could not convert string to float: '--------' File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > open D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out Summary of feedback from opening D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out --- error | unable to open benzene_tcne_r2scan3c.out Traceback (most recent call last): File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\dialog.py"", line 334, in _qt_safe run(session, ""open "" + "" "".join([FileNameArg.unparse(p) for p in paths]) + ("""" File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\run.py"", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 131, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 213, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 513, in collated_open return remember_data_format() ^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 484, in remember_data_format models, status = func(*func_args, **func_kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\\__init__.py"", line 597, in open return open_aarontools( ^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 57, in open_aarontools raise e File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 34, in open_aarontools fr = FileReader( ^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 1550, in __init__ self.read_psi4_out(f, get_all, just_geom) File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ ValueError: could not convert string to float: '--------' ValueError: could not convert string to float: '--------' File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. > open D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out Summary of feedback from opening D:/omega/Calc_new/r2scan3c/benzene_tcne_r2scan3c.out --- error | unable to open benzene_tcne_r2scan3c.out Traceback (most recent call last): File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\dialog.py"", line 334, in _qt_safe run(session, ""open "" + "" "".join([FileNameArg.unparse(p) for p in paths]) + ("""" File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\run.py"", line 49, in run results = command.run(text, log=log, return_json=return_json) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 131, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\core\commands\cli.py"", line 2908, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 213, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 513, in collated_open return remember_data_format() ^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Program Files\ChimeraX\bin\Lib\site- packages\chimerax\open_command\cmd.py"", line 484, in remember_data_format models, status = func(*func_args, **func_kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\\__init__.py"", line 597, in open return open_aarontools( ^^^^^^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 57, in open_aarontools raise e File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\SEQCROW\io.py"", line 34, in open_aarontools fr = FileReader( ^^^^^^^^^^^ File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 1550, in __init__ self.read_psi4_out(f, get_all, just_geom) File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ ValueError: could not convert string to float: '--------' ValueError: could not convert string to float: '--------' File ""C:\Users\user\AppData\Local\UCSF\ChimeraX\1.7\Python311\site- packages\AaronTools\fileIO.py"", line 2045, in read_psi4_out dE = float(dE_conv.split()[0]) ^^^^^^^^^^^^^^^^^^^^^^^^^ See log for complete Python traceback. OpenGL version: 3.3.0 - Build 26.20.100.7323 OpenGL renderer: Intel(R) UHD Graphics 620 OpenGL vendor: Intel Python: 3.11.2 Locale: en_US.cp1252 Qt version: PyQt6 6.3.1, Qt 6.3.1 Qt runtime version: 6.3.2 Qt platform: windows Manufacturer: LENOVO Model: 81F4 OS: Microsoft Windows 10 Home Single Language (Build 19045) Memory: 4,199,780,352 MaxProcessMemory: 137,438,953,344 CPU: 4 Intel(R) Core(TM) i3-8130U CPU @ 2.20GHz OSLanguage: en-US Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 asttokens: 2.4.1 Babel: 2.14.0 backcall: 0.2.0 beautifulsoup4: 4.11.2 blockdiag: 3.0.0 blosc2: 2.0.0 build: 0.10.0 certifi: 2023.11.17 cftime: 1.6.3 charset-normalizer: 3.3.2 ChimeraX-AddCharge: 1.5.13 ChimeraX-AddH: 2.2.5 ChimeraX-AlignmentAlgorithms: 2.0.1 ChimeraX-AlignmentHdrs: 3.4.1 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.12.1 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.1.1 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.49.1 ChimeraX-AtomicLibrary: 12.1.3 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3.2 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.2 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.10.5 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.2 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.3.2 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.5 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.7 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2 ChimeraX-DistMonitor: 1.4 ChimeraX-DockPrep: 1.1.3 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1.1 ChimeraX-Hbonds: 2.4 ChimeraX-Help: 1.2.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-Label: 1.1.8 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.1.6 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.1.4 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.1.2 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.12.1 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.13 ChimeraX-ModelPanel: 1.4 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.1 ChimeraX-NRRD: 1.1 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.13.1 ChimeraX-PDB: 2.7.3 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.3 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.1 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.2 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.11 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.1.1 ChimeraX-ShowSequences: 1.0.2 ChimeraX-SideView: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.12.3 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1.2 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.2.2 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.33.2 ChimeraX-uniprot: 2.3 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.3.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.3 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.0 comtypes: 1.1.14 contourpy: 1.2.0 cxservices: 1.2.2 cycler: 0.12.1 Cython: 0.29.33 debugpy: 1.8.0 decorator: 5.1.1 docutils: 0.19 executing: 2.0.1 filelock: 3.9.0 fonttools: 4.47.0 funcparserlib: 2.0.0a0 glfw: 2.6.4 grako: 3.16.5 h5py: 3.10.0 html2text: 2020.1.16 idna: 3.6 ihm: 0.38 imagecodecs: 2023.9.18 imagesize: 1.4.1 ipykernel: 6.23.2 ipython: 8.14.0 ipython-genutils: 0.2.0 ipywidgets: 8.1.1 jedi: 0.18.2 Jinja2: 3.1.2 jupyter-client: 8.2.0 jupyter-core: 5.5.1 jupyterlab-widgets: 3.0.9 kiwisolver: 1.4.5 line-profiler: 4.0.2 lxml: 4.9.2 lz4: 4.3.2 MarkupSafe: 2.1.3 matplotlib: 3.7.2 matplotlib-inline: 0.1.6 msgpack: 1.0.4 nest-asyncio: 1.5.8 netCDF4: 1.6.2 networkx: 3.1 nibabel: 5.0.1 nptyping: 2.5.0 numexpr: 2.8.8 numpy: 1.25.1 openvr: 1.23.701 packaging: 23.2 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pickleshare: 0.7.5 Pillow: 10.0.1 pip: 23.0 pkginfo: 1.9.6 platformdirs: 4.1.0 prompt-toolkit: 3.0.43 psutil: 5.9.5 pure-eval: 0.2.2 py-cpuinfo: 9.0.0 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.16.1 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.2801 pyparsing: 3.0.9 pyproject-hooks: 1.0.0 PyQt6-commercial: 6.3.1 PyQt6-Qt6: 6.3.2 PyQt6-sip: 13.4.0 PyQt6-WebEngine-commercial: 6.3.1 PyQt6-WebEngine-Qt6: 6.3.2 python-dateutil: 2.8.2 pytz: 2023.3.post1 pywin32: 305 pyzmq: 25.1.2 qtconsole: 5.4.3 QtPy: 2.4.1 RandomWords: 0.4.0 requests: 2.31.0 scipy: 1.11.1 Send2Trash: 1.8.2 SEQCROW: 1.8.3 setuptools: 67.4.0 sfftk-rw: 0.7.3 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.5 sphinx: 6.1.3 sphinx-autodoc-typehints: 1.22 sphinxcontrib-applehelp: 1.0.7 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.5 sphinxcontrib-htmlhelp: 2.0.4 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.6 sphinxcontrib-serializinghtml: 1.1.9 stack-data: 0.6.3 superqt: 0.5.0 tables: 3.8.0 tcia-utils: 1.5.1 tifffile: 2023.7.18 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.4 traitlets: 5.9.0 typing-extensions: 4.9.0 tzdata: 2023.3 urllib3: 2.1.0 wcwidth: 0.2.12 webcolors: 1.12 wheel: 0.38.4 wheel-filename: 1.4.1 widgetsnbextension: 4.0.9 WMI: 1.5.1 File attachment: benzene_tcne_r2scan3c.out }}} [attachment:""benzene_tcne_r2scan3c.out""] " defect closed normal Third Party fixed Greg Couch Eric Pettersen all ChimeraX