Opened 2 years ago

Last modified 2 years ago

#10061 assigned defect

XMAS: could not convert string to float

Reported by: abbylewis@… Owned by: Richard Scheltema
Priority: normal Milestone:
Component: Third Party Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description 

The following bug report has been submitted:
Platform:        Windows-10-10.0.19045
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
mapping on pdb structure

Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> toolshed show

Downloading bundle ChimeraX_XMAS-1.1.3-py3-none-any.whl  

Errors may have occurred when running pip:  

pip standard error:  
\---  
  
[notice] A new release of pip is available: 23.0 -> 23.3.1  
[notice] To update, run: C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip
install --upgrade pip  
\---  

pip standard output:  
\---  
Looking in indexes: https://pypi.org/simple,
https://cxtoolshed.rbvi.ucsf.edu/pypi/  
Processing c:\users\lewis.abigail\downloads\chimerax_xmas-1.1.3-py3-none-
any.whl  
Requirement already satisfied: ChimeraX-Core>=1.6 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-XMAS==1.1.3) (1.6.1)  
Requirement already satisfied: ChimeraX-UI>=1.6 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-XMAS==1.1.3) (1.28.4)  
Collecting openpyxl  
Using cached openpyxl-3.1.2-py2.py3-none-any.whl (249 kB)  
Collecting pandas  
Using cached pandas-2.1.1-cp39-cp39-win_amd64.whl (10.8 MB)  
Collecting qtrangeslider  
Using cached QtRangeSlider-0.1.5-py3-none-any.whl (33 kB)  
Collecting seaborn  
Using cached seaborn-0.13.0-py3-none-any.whl (294 kB)  
Requirement already satisfied: ChimeraX-SelInspector~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-UI>=1.6->ChimeraX-
XMAS==1.1.3) (1.0)  
Requirement already satisfied: ChimeraX-Graphics~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-UI>=1.6->ChimeraX-
XMAS==1.1.3) (1.1.1)  
Requirement already satisfied: ChimeraX-MouseModes~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-UI>=1.6->ChimeraX-
XMAS==1.1.3) (1.2)  
Collecting et-xmlfile  
Using cached et_xmlfile-1.1.0-py3-none-any.whl (4.7 kB)  
Requirement already satisfied: numpy>=1.22.4 in c:\program
files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.3)
(1.23.5)  
Requirement already satisfied: python-dateutil>=2.8.2 in c:\program
files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.3)
(2.8.2)  
Requirement already satisfied: tzdata>=2022.1 in c:\program
files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.3)
(2023.3)  
Requirement already satisfied: pytz>=2020.1 in c:\program
files\chimerax\bin\lib\site-packages (from pandas->ChimeraX-XMAS==1.1.3)
(2023.3)  
Requirement already satisfied: matplotlib!=3.6.1,>=3.3 in c:\program
files\chimerax\bin\lib\site-packages (from seaborn->ChimeraX-XMAS==1.1.3)
(3.6.3)  
Requirement already satisfied: ChimeraX-Arrays~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Graphics~=1.0->ChimeraX-
UI>=1.6->ChimeraX-XMAS==1.1.3) (1.1)  
Requirement already satisfied: ChimeraX-Geometry~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-Graphics~=1.0->ChimeraX-
UI>=1.6->ChimeraX-XMAS==1.1.3) (1.3)  
Requirement already satisfied: ChimeraX-ItemsInspection~=1.0 in c:\program
files\chimerax\bin\lib\site-packages (from ChimeraX-
SelInspector~=1.0->ChimeraX-UI>=1.6->ChimeraX-XMAS==1.1.3) (1.0.1)  
Requirement already satisfied: pyparsing>=2.2.1 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (3.0.9)  
Requirement already satisfied: contourpy>=1.0.1 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (1.0.7)  
Requirement already satisfied: fonttools>=4.22.0 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (4.39.3)  
Requirement already satisfied: cycler>=0.10 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (0.11.0)  
Requirement already satisfied: pillow>=6.2.0 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (9.3.0)  
Requirement already satisfied: kiwisolver>=1.0.1 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (1.4.4)  
Requirement already satisfied: packaging>=20.0 in c:\program
files\chimerax\bin\lib\site-packages (from
matplotlib!=3.6.1,>=3.3->seaborn->ChimeraX-XMAS==1.1.3) (23.1)  
Requirement already satisfied: six>=1.5 in c:\program
files\chimerax\bin\lib\site-packages (from python-
dateutil>=2.8.2->pandas->ChimeraX-XMAS==1.1.3) (1.16.0)  
Installing collected packages: qtrangeslider, et-xmlfile, pandas, openpyxl,
seaborn, ChimeraX-XMAS  
Successfully installed ChimeraX-XMAS-1.1.3 et-xmlfile-1.1.0 openpyxl-3.1.2
pandas-2.1.1 qtrangeslider-0.1.5 seaborn-0.13.0  
\---  

Successfully installed ChimeraX-XMAS-1.1.3 et-xmlfile-1.1.0 openpyxl-3.1.2
pandas-2.1.1 qtrangeslider-0.1.5 seaborn-0.13.0  
Installed ChimeraX-XMAS (1.1.3)  

> ui tool show XMAS

> help help:quickstart

> help help:user/tools/manual.html

> open C:/Users/lewis.abigail/Downloads/1fsx.pdb

1fsx.pdb title:  
The X-ray structure determination of bovine carbonmonoxy HB At 2.1 A
resolution and its relationship to the quaternary structure of other HB
crystal forms [more info...]  
  
Chain information for 1fsx.pdb #1  
---  
Chain | Description | UniProt  
A C | hemoglobin α chain | HBA_BOVIN 1-141 401-541  
B D | hemoglobin β chain | HBB_BOVIN 202-346 602-746  
  
Non-standard residues in 1fsx.pdb #1  
---  
CMO — carbon monoxide  
HEM — protoporphyrin IX containing Fe (HEME)  
  
  
Peptide pair mapping of Xi evidence file: C:/Users/lewis.abigail/Documents/SDA
xiFDR pLink/xiFDR B samples/HGSDAconc_PeptidePairs_xiFDR2.1.5.2.csv  
C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\info_file.py:46: FutureWarning: The behavior of
DataFrame concatenation with empty or all-NA entries is deprecated. In a
future version, this will no longer exclude empty or all-NA columns when
determining the result dtypes. To retain the old behavior, exclude the
relevant entries before the concat operation.  
self.df = pd.concat([self.df, df_add], ignore_index=True)  
Unique peptide pairs: 478 out of 499  
Traceback (most recent call last):  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 290, in <lambda>  
function = lambda _, s=selector, t=key: self.map_button_clicked(s, t)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 447, in map_button_clicked  
self.map_crosslinks(self.checked_models, checked_files)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 528, in map_crosslinks  
peptide_pair.Score = self.map_max_score(scores)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 597, in map_max_score  
elif float(score) <= max_score:  
ValueError: could not convert string to float: '27.723.589,685'  
  
ValueError: could not convert string to float: '27.723.589,685'  
  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 597, in map_max_score  
elif float(score) <= max_score:  
  
See log for complete Python traceback.  
  
  
Peptide pair mapping of Xi evidence file: C:/Users/lewis.abigail/Documents/SDA
xiFDR pLink/xiFDR B samples/HGSDAconc_PeptidePairs_xiFDR2.1.5.2.csv  
C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\info_file.py:46: FutureWarning: The behavior of
DataFrame concatenation with empty or all-NA entries is deprecated. In a
future version, this will no longer exclude empty or all-NA columns when
determining the result dtypes. To retain the old behavior, exclude the
relevant entries before the concat operation.  
self.df = pd.concat([self.df, df_add], ignore_index=True)  
Unique peptide pairs: 478 out of 499  
Traceback (most recent call last):  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 290, in <lambda>  
function = lambda _, s=selector, t=key: self.map_button_clicked(s, t)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 447, in map_button_clicked  
self.map_crosslinks(self.checked_models, checked_files)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 528, in map_crosslinks  
peptide_pair.Score = self.map_max_score(scores)  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 597, in map_max_score  
elif float(score) <= max_score:  
ValueError: could not convert string to float: '27.723.589,685'  
  
ValueError: could not convert string to float: '27.723.589,685'  
  
File "C:\Users\lewis.abigail\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\XMAS\tool.py", line 597, in map_max_score  
elif float(score) <= max_score:  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 - Build 30.0.101.2079
OpenGL renderer: Intel(R) UHD Graphics 770
OpenGL vendor: Intel

Python: 3.9.11
Locale: en_US.cp1252
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows

Manufacturer: Dell Inc.
Model: OptiPlex 5000
OS: Microsoft Windows 10 Pro (Build 19045)
Memory: 16,853,479,424
MaxProcessMemory: 137,438,953,344
CPU: 20 12th Gen Intel(R) Core(TM) i7-12700
OSLanguage: en-US

Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2023.5.7
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    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: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    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: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    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: 1.1.1
    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: 1.2.1
    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-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    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: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    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: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    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: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-XMAS: 1.1.3
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    comtypes: 1.1.14
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    et-xmlfile: 1.1.0
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.9.26
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openpyxl: 3.1.2
    openvr: 1.23.701
    packaging: 23.1
    pandas: 2.1.1
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pywin32: 305
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    QtRangeSlider: 0.1.5
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    seaborn: 0.13.0
    setuptools: 67.4.0
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    WMI: 1.5.1
    zipp: 3.15.0

Attachments (2)

Outlook-image001.png​ (4.6 KB ) - added by Richard Scheltema 2 years ago.
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Change History (4)

comment:1 by Eric Pettersen, 2 years ago

Component: Unassigned → Third Party
Owner: set to Richard Scheltema
Platform: → all
Project: → ChimeraX
Status: new → assigned
Summary: ChimeraX bug report submission → XMAS: could not convert string to float

Reported by Abigail Lewis

comment:2 by Richard Scheltema, 2 years ago 

Hi Abigail,

Thanks for reporting 🙂

I can't really find a bug on our end. It seems your crosslinks file contains an entry in the score column that we cannot interpret as a number. Specifically it crashes on

27.723.589,685

We can't read such a format. If you change this to 27723589.685 (which i would guess is the number) then it should be ok. Don't forget the rest of the numbers as well. As a thought, did you open the file in excel prior to loading ? It could be that excel changed the number.

Hope it helps. Cheers, Richard


-

Dr. Richard Scheltema

Utrecht University / Pharmaceutical Sciences

Biomolecular Mass Spectrometry and Proteomics

Padualaan 8 , 3584 CH Utrecht



Kruyt-building, room O604

(+31) 30 253 6804



https://scheltemalab.com<https://scheltemalab.com/>

https://www.uu.nl/medewerkers/RAScheltema



[image001]

Treasurer - Dutch Society for Mass Spectrometry

www.nvms.nl<http://www.nvms.nl/>





[cid:4a188b29-86cc-4e15-a84f-67bd92e35103]

Mark your agenda for the NVMS-BSMS Rolduc

meeting happening 28 – 30 April, 2024! Great science

in a lovely environment in the former abbey Rolduc.

________________________________
From: ChimeraX <ChimeraX-bugs-admin@cgl.ucsf.edu>
Sent: Wednesday, October 25, 2023 7:46 PM
To: Scheltema, R.A. (Richard) <R.A.Scheltema@uu.nl>; abbylewis@u.northwestern.edu <abbylewis@u.northwestern.edu>
Subject: Re: [ChimeraX] #10061: XMAS: could not convert string to float (was: ChimeraX bug report submission)

CAUTION: This email originated from outside of Utrecht University. Do not click links or open attachments unless you recognize the sender and know the content is safe.


#10061: XMAS: could not convert string to float
----------------------------------+-------------------------------
          Reporter:  abbylewis@…  |      Owner:  Richard Scheltema
              Type:  defect       |     Status:  assigned
          Priority:  normal       |  Milestone:
         Component:  Third Party  |    Version:
        Resolution:               |   Keywords:
        Blocked By:               |   Blocking:
Notify when closed:               |   Platform:  all
           Project:  ChimeraX     |
----------------------------------+-------------------------------
Changes (by pett):

 * component:  Unassigned => Third Party
 * owner:  (none) => Richard Scheltema
 * platform:   => all
 * project:   => ChimeraX
 * status:  new => assigned
 * summary:  ChimeraX bug report submission => XMAS: could not convert
     string to float

Comment:

 Reported by Abigail Lewis
--
Ticket URL: <https://www.rbvi.ucsf.edu/trac/ChimeraX/ticket/10061#comment:1>
ChimeraX <https://www.rbvi.ucsf.edu/chimerax/>
ChimeraX Issue Tracker

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Added by email2trac

by Richard Scheltema, 2 years ago

Attachment: Outlook-image001.png​ added

Added by email2trac

by Richard Scheltema, 2 years ago

Attachment: Outlook-occdjvjs.png​ added

Added by email2trac

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