| | 16 | Windows fatal exception: code 0xc0000374 |
| | 17 | |
| | 18 | Current thread 0x00000da8 (most recent call first): |
| | 19 | File "C:\Program Files\ChimeraX 1.3\bin\lib\site-packages\chimerax\ui\gui.py", line 301 in event_loop |
| | 20 | File "C:\Program Files\ChimeraX 1.3\bin\lib\site-packages\ChimeraX_main.py", line 867 in init |
| | 21 | File "C:\Program Files\ChimeraX 1.3\bin\lib\site-packages\ChimeraX_main.py", line 1018 in |
| | 22 | File "C:\Program Files\ChimeraX 1.3\bin\lib\runpy.py", line 87 in _run_code |
| | 23 | File "C:\Program Files\ChimeraX 1.3\bin\lib\runpy.py", line 197 in _run_module_as_main |
| | 24 | ===== Log before crash start ===== |
| | 25 | UCSF ChimeraX version: 1.3 (2021-12-08) |
| | 26 | © 2016-2021 Regents of the University of California. All rights reserved. |
| | 27 | How to cite UCSF ChimeraX |
| | 28 | |
| | 29 | > ui tool show XMAS |
| | 30 | |
| | 31 | > open "C:/Users/zeman/Documents/MassSpec/__RQT |
| | 32 | > results/HADDOCK_run2/cluster11_1.pdb" |
| | 33 | |
| | 34 | Summary of feedback from opening C:/Users/zeman/Documents/MassSpec/__RQT |
| | 35 | results/HADDOCK_run2/cluster11_1.pdb |
| | 36 | --- |
| | 37 | warnings | Ignored bad PDB record found on line 1 |
| | 38 | REMARK FILENAME="complex_343w.pdb0" |
| | 39 | |
| | 40 | Ignored bad PDB record found on line 2 |
| | 41 | REMARK =============================================================== |
| | 42 | |
| | 43 | Ignored bad PDB record found on line 3 |
| | 44 | REMARK HADDOCK run for complex |
| | 45 | |
| | 46 | Ignored bad PDB record found on line 4 |
| | 47 | REMARK initial structure: complex_343.pdb |
| | 48 | |
| | 49 | Ignored bad PDB record found on line 5 |
| | 50 | REMARK =============================================================== |
| | 51 | |
| | 52 | 30 messages similar to the above omitted |
| | 53 | |
| | 54 | Chain information for cluster11_1.pdb #1 |
| | 55 | --- |
| | 56 | Chain | Description |
| | 57 | A | No description available |
| | 58 | B | No description available |
| | 59 | C | No description available |
| | 60 | |
| | 61 | |
| | 62 | Peptide pair mapping of Xi_alternative evidence file: |
| | 63 | C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP sulfo-SDA/sulfo- |
| | 64 | SDA/Results_individual/0.5-1 ratio/RQT_sulfo- |
| | 65 | SDA_05-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5.csv |
| | 66 | Unique peptide pairs: 98 out of 118 |
| | 67 | Unique peptide pairs with pseudobonds: 63 |
| | 68 | Pseudobonds are stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP |
| | 69 | sulfo-SDA/sulfo-SDA/Results_individual/0.5-1 ratio/RQT_sulfo- |
| | 70 | SDA_05-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.pb |
| | 71 | Mapping information is stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT |
| | 72 | SBP sulfo-SDA/sulfo-SDA/Results_individual/0.5-1 ratio/RQT_sulfo- |
| | 73 | SDA_05-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.tsv |
| | 74 | |
| | 75 | Peptide pair mapping of Xi_alternative evidence file: |
| | 76 | C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP sulfo-SDA/sulfo- |
| | 77 | SDA/Results_individual/1-1 ratio/RQT_sulfo- |
| | 78 | SDA_1-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5.csv |
| | 79 | Unique peptide pairs: 181 out of 182 |
| | 80 | Unique peptide pairs with pseudobonds: 92 |
| | 81 | Pseudobonds are stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP |
| | 82 | sulfo-SDA/sulfo-SDA/Results_individual/1-1 ratio/RQT_sulfo- |
| | 83 | SDA_1-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.pb |
| | 84 | Mapping information is stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT |
| | 85 | SBP sulfo-SDA/sulfo-SDA/Results_individual/1-1 ratio/RQT_sulfo- |
| | 86 | SDA_1-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.tsv |
| | 87 | |
| | 88 | Peptide pair mapping of Xi_alternative evidence file: |
| | 89 | C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP sulfo-SDA/sulfo- |
| | 90 | SDA/Results_individual/2-1 ratio/RQT_sulfo- |
| | 91 | SDA_2-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5.csv |
| | 92 | Unique peptide pairs: 204 out of 208 |
| | 93 | Unique peptide pairs with pseudobonds: 103 |
| | 94 | Pseudobonds are stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT SBP |
| | 95 | sulfo-SDA/sulfo-SDA/Results_individual/2-1 ratio/RQT_sulfo- |
| | 96 | SDA_2-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.pb |
| | 97 | Mapping information is stored in C:/Users/zeman/Documents/MassSpec/2022-02_RQT |
| | 98 | SBP sulfo-SDA/sulfo-SDA/Results_individual/2-1 ratio/RQT_sulfo- |
| | 99 | SDA_2-1_Results_20PercentFDRLink_CSM_xiFDR2.1.5.5_1.tsv |
| | 100 | |
| | 101 | > ~select #2 |
| | 102 | |
| | 103 | 211 pseudobonds, 2 models selected |
| | 104 | |
| | 105 | > ~select #3 |
| | 106 | |
| | 107 | 111 pseudobonds, 1 model selected |
| | 108 | |
| | 109 | > ~select #4 |
| | 110 | |
| | 111 | Nothing selected |
| | 112 | |
| | 113 | > ~select #2 |
| | 114 | |
| | 115 | 103 pseudobonds, 2 models selected |
| | 116 | |
| | 117 | > ~select #3 |
| | 118 | |
| | 119 | 80 pseudobonds, 1 model selected |
| | 120 | |
| | 121 | > ~select #4 |
| | 122 | |
| | 123 | Nothing selected |
| | 124 | |
| | 125 | > color #3 #ffaa00 models transparency 0 |
| | 126 | |
| | 127 | > color #3 #ff8000 models transparency 0 |
| | 128 | |
| | 129 | > color #4 #f700ff models transparency 0 |
| | 130 | |
| | 131 | > color #4 #ff0073 models transparency 0 |
| | 132 | |
| | 133 | > color #4 #0084ff models transparency 0 |
| | 134 | |
| | 135 | > color #4 #003cff models transparency 0 |
| | 136 | |
| | 137 | > color #4 #002fff models transparency 0 |
| | 138 | |
| | 139 | > color #4 #0066ff models transparency 0 |
| | 140 | |
| | 141 | |
| | 142 | ===== Log before crash end ===== |
| | 143 | |
| | 144 | Log: |
| | 145 | UCSF ChimeraX version: 1.3 (2021-12-08) |
| | 146 | © 2016-2021 Regents of the University of California. All rights reserved. |
| | 147 | How to cite UCSF ChimeraX |
| | 148 | |
| | 149 | |
| | 150 | |
| | 151 | |
| | 152 | OpenGL version: 3.3.0 NVIDIA 457.49 |
| | 153 | OpenGL renderer: GeForce GTX 1060 3GB/PCIe/SSE2 |
| | 154 | OpenGL vendor: NVIDIA Corporation |
| | 155 | Manufacturer: HP |
| | 156 | Model: HP EliteDesk 800 G4 TWR |
| | 157 | OS: Microsoft Windows 10 Education (Build 19044) |
| | 158 | Memory: 16,948,436,992 |
| | 159 | MaxProcessMemory: 137,438,953,344 |
| | 160 | CPU: 12 Intel(R) Core(TM) i7-8700K CPU @ 3.70GHz |
| | 161 | OSLanguage: en-GB |
| | 162 | Locale: ('en_GB', 'cp1252') |
| | 163 | PyQt5 5.15.2, Qt 5.15.2 |
| | 164 | Installed Packages: |
| | 165 | alabaster: 0.7.12 |
| | 166 | appdirs: 1.4.4 |
| | 167 | Babel: 2.9.1 |
| | 168 | backcall: 0.2.0 |
| | 169 | blockdiag: 2.0.1 |
| | 170 | certifi: 2021.10.8 |
| | 171 | cftime: 1.5.1.1 |
| | 172 | charset-normalizer: 2.0.9 |
| | 173 | ChimeraX-AddCharge: 1.2.2 |
| | 174 | ChimeraX-AddH: 2.1.11 |
| | 175 | ChimeraX-AlignmentAlgorithms: 2.0 |
| | 176 | ChimeraX-AlignmentHdrs: 3.2 |
| | 177 | ChimeraX-AlignmentMatrices: 2.0 |
| | 178 | ChimeraX-Alignments: 2.2.3 |
| | 179 | ChimeraX-AlphaFold: 1.0 |
| | 180 | ChimeraX-AltlocExplorer: 1.0.1 |
| | 181 | ChimeraX-AmberInfo: 1.0 |
| | 182 | ChimeraX-Arrays: 1.0 |
| | 183 | ChimeraX-Atomic: 1.31 |
| | 184 | ChimeraX-AtomicLibrary: 4.2 |
| | 185 | ChimeraX-AtomSearch: 2.0 |
| | 186 | ChimeraX-AtomSearchLibrary: 1.0 |
| | 187 | ChimeraX-AxesPlanes: 2.0 |
| | 188 | ChimeraX-BasicActions: 1.1 |
| | 189 | ChimeraX-BILD: 1.0 |
| | 190 | ChimeraX-BlastProtein: 2.0 |
| | 191 | ChimeraX-BondRot: 2.0 |
| | 192 | ChimeraX-BugReporter: 1.0 |
| | 193 | ChimeraX-BuildStructure: 2.6.1 |
| | 194 | ChimeraX-Bumps: 1.0 |
| | 195 | ChimeraX-BundleBuilder: 1.1 |
| | 196 | ChimeraX-ButtonPanel: 1.0 |
| | 197 | ChimeraX-CageBuilder: 1.0 |
| | 198 | ChimeraX-CellPack: 1.0 |
| | 199 | ChimeraX-Centroids: 1.2 |
| | 200 | ChimeraX-ChemGroup: 2.0 |
| | 201 | ChimeraX-Clashes: 2.2.2 |
| | 202 | ChimeraX-ColorActions: 1.0 |
| | 203 | ChimeraX-ColorGlobe: 1.0 |
| | 204 | ChimeraX-ColorKey: 1.5 |
| | 205 | ChimeraX-CommandLine: 1.1.5 |
| | 206 | ChimeraX-ConnectStructure: 2.0 |
| | 207 | ChimeraX-Contacts: 1.0 |
| | 208 | ChimeraX-Core: 1.3 |
| | 209 | ChimeraX-CoreFormats: 1.1 |
| | 210 | ChimeraX-coulombic: 1.3.2 |
| | 211 | ChimeraX-Crosslinks: 1.0 |
| | 212 | ChimeraX-Crystal: 1.0 |
| | 213 | ChimeraX-CrystalContacts: 1.0 |
| | 214 | ChimeraX-DataFormats: 1.2.2 |
| | 215 | ChimeraX-Dicom: 1.0 |
| | 216 | ChimeraX-DistMonitor: 1.1.5 |
| | 217 | ChimeraX-DistUI: 1.0 |
| | 218 | ChimeraX-Dssp: 2.0 |
| | 219 | ChimeraX-EMDB-SFF: 1.0 |
| | 220 | ChimeraX-ExperimentalCommands: 1.0 |
| | 221 | ChimeraX-FileHistory: 1.0 |
| | 222 | ChimeraX-FunctionKey: 1.0 |
| | 223 | ChimeraX-Geometry: 1.1 |
| | 224 | ChimeraX-gltf: 1.0 |
| | 225 | ChimeraX-Graphics: 1.1 |
| | 226 | ChimeraX-Hbonds: 2.1.2 |
| | 227 | ChimeraX-Help: 1.2 |
| | 228 | ChimeraX-HKCage: 1.3 |
| | 229 | ChimeraX-IHM: 1.1 |
| | 230 | ChimeraX-ImageFormats: 1.2 |
| | 231 | ChimeraX-IMOD: 1.0 |
| | 232 | ChimeraX-IO: 1.0.1 |
| | 233 | ChimeraX-ItemsInspection: 1.0 |
| | 234 | ChimeraX-Label: 1.1 |
| | 235 | ChimeraX-ListInfo: 1.1.1 |
| | 236 | ChimeraX-Log: 1.1.4 |
| | 237 | ChimeraX-LookingGlass: 1.1 |
| | 238 | ChimeraX-Maestro: 1.8.1 |
| | 239 | ChimeraX-Map: 1.1 |
| | 240 | ChimeraX-MapData: 2.0 |
| | 241 | ChimeraX-MapEraser: 1.0 |
| | 242 | ChimeraX-MapFilter: 2.0 |
| | 243 | ChimeraX-MapFit: 2.0 |
| | 244 | ChimeraX-MapSeries: 2.1 |
| | 245 | ChimeraX-Markers: 1.0 |
| | 246 | ChimeraX-Mask: 1.0 |
| | 247 | ChimeraX-MatchMaker: 2.0.4 |
| | 248 | ChimeraX-MDcrds: 2.6 |
| | 249 | ChimeraX-MedicalToolbar: 1.0.1 |
| | 250 | ChimeraX-Meeting: 1.0 |
| | 251 | ChimeraX-MLP: 1.1 |
| | 252 | ChimeraX-mmCIF: 2.4 |
| | 253 | ChimeraX-MMTF: 2.1 |
| | 254 | ChimeraX-Modeller: 1.2.6 |
| | 255 | ChimeraX-ModelPanel: 1.2.1 |
| | 256 | ChimeraX-ModelSeries: 1.0 |
| | 257 | ChimeraX-Mol2: 2.0 |
| | 258 | ChimeraX-Morph: 1.0 |
| | 259 | ChimeraX-MouseModes: 1.1 |
| | 260 | ChimeraX-Movie: 1.0 |
| | 261 | ChimeraX-Neuron: 1.0 |
| | 262 | ChimeraX-Nucleotides: 2.0.2 |
| | 263 | ChimeraX-OpenCommand: 1.7 |
| | 264 | ChimeraX-PDB: 2.6.5 |
| | 265 | ChimeraX-PDBBio: 1.0 |
| | 266 | ChimeraX-PDBLibrary: 1.0.2 |
| | 267 | ChimeraX-PDBMatrices: 1.0 |
| | 268 | ChimeraX-PickBlobs: 1.0 |
| | 269 | ChimeraX-Positions: 1.0 |
| | 270 | ChimeraX-PresetMgr: 1.0.1 |
| | 271 | ChimeraX-PubChem: 2.1 |
| | 272 | ChimeraX-ReadPbonds: 1.0.1 |
| | 273 | ChimeraX-Registration: 1.1 |
| | 274 | ChimeraX-RemoteControl: 1.0 |
| | 275 | ChimeraX-ResidueFit: 1.0 |
| | 276 | ChimeraX-RestServer: 1.1 |
| | 277 | ChimeraX-RNALayout: 1.0 |
| | 278 | ChimeraX-RotamerLibMgr: 2.0.1 |
| | 279 | ChimeraX-RotamerLibsDunbrack: 2.0 |
| | 280 | ChimeraX-RotamerLibsDynameomics: 2.0 |
| | 281 | ChimeraX-RotamerLibsRichardson: 2.0 |
| | 282 | ChimeraX-SaveCommand: 1.5 |
| | 283 | ChimeraX-SchemeMgr: 1.0 |
| | 284 | ChimeraX-SDF: 2.0 |
| | 285 | ChimeraX-Segger: 1.0 |
| | 286 | ChimeraX-Segment: 1.0 |
| | 287 | ChimeraX-SelInspector: 1.0 |
| | 288 | ChimeraX-SeqView: 2.4.6 |
| | 289 | ChimeraX-Shape: 1.0.1 |
| | 290 | ChimeraX-Shell: 1.0 |
| | 291 | ChimeraX-Shortcuts: 1.1 |
| | 292 | ChimeraX-ShowAttr: 1.0 |
| | 293 | ChimeraX-ShowSequences: 1.0 |
| | 294 | ChimeraX-SideView: 1.0 |
| | 295 | ChimeraX-Smiles: 2.1 |
| | 296 | ChimeraX-SmoothLines: 1.0 |
| | 297 | ChimeraX-SpaceNavigator: 1.0 |
| | 298 | ChimeraX-StdCommands: 1.6.1 |
| | 299 | ChimeraX-STL: 1.0 |
| | 300 | ChimeraX-Storm: 1.0 |
| | 301 | ChimeraX-Struts: 1.0 |
| | 302 | ChimeraX-Surface: 1.0 |
| | 303 | ChimeraX-SwapAA: 2.0 |
| | 304 | ChimeraX-SwapRes: 2.1 |
| | 305 | ChimeraX-TapeMeasure: 1.0 |
| | 306 | ChimeraX-Test: 1.0 |
| | 307 | ChimeraX-Toolbar: 1.1 |
| | 308 | ChimeraX-ToolshedUtils: 1.2 |
| | 309 | ChimeraX-Tug: 1.0 |
| | 310 | ChimeraX-UI: 1.13.7 |
| | 311 | ChimeraX-uniprot: 2.2 |
| | 312 | ChimeraX-UnitCell: 1.0 |
| | 313 | ChimeraX-ViewDockX: 1.0.1 |
| | 314 | ChimeraX-VIPERdb: 1.0 |
| | 315 | ChimeraX-Vive: 1.1 |
| | 316 | ChimeraX-VolumeMenu: 1.0 |
| | 317 | ChimeraX-VTK: 1.0 |
| | 318 | ChimeraX-WavefrontOBJ: 1.0 |
| | 319 | ChimeraX-WebCam: 1.0 |
| | 320 | ChimeraX-WebServices: 1.0 |
| | 321 | ChimeraX-XMAS: 1.1.1 |
| | 322 | ChimeraX-Zone: 1.0 |
| | 323 | colorama: 0.4.4 |
| | 324 | comtypes: 1.1.10 |
| | 325 | cxservices: 1.1 |
| | 326 | cycler: 0.11.0 |
| | 327 | Cython: 0.29.24 |
| | 328 | decorator: 5.1.0 |
| | 329 | docutils: 0.17.1 |
| | 330 | et-xmlfile: 1.1.0 |
| | 331 | filelock: 3.0.12 |
| | 332 | funcparserlib: 0.3.6 |
| | 333 | grako: 3.16.5 |
| | 334 | h5py: 3.6.0 |
| | 335 | html2text: 2020.1.16 |
| | 336 | idna: 3.3 |
| | 337 | ihm: 0.21 |
| | 338 | imagecodecs: 2021.4.28 |
| | 339 | imagesize: 1.3.0 |
| | 340 | ipykernel: 5.5.5 |
| | 341 | ipython: 7.23.1 |
| | 342 | ipython-genutils: 0.2.0 |
| | 343 | jedi: 0.18.0 |
| | 344 | Jinja2: 3.0.1 |
| | 345 | jupyter-client: 6.1.12 |
| | 346 | jupyter-core: 4.9.1 |
| | 347 | kiwisolver: 1.3.2 |
| | 348 | lxml: 4.6.3 |
| | 349 | lz4: 3.1.3 |
| | 350 | MarkupSafe: 2.0.1 |
| | 351 | matplotlib: 3.4.3 |
| | 352 | matplotlib-inline: 0.1.3 |
| | 353 | msgpack: 1.0.2 |
| | 354 | netCDF4: 1.5.7 |
| | 355 | networkx: 2.6.3 |
| | 356 | numexpr: 2.8.0 |
| | 357 | numpy: 1.21.2 |
| | 358 | openpyxl: 3.0.9 |
| | 359 | openvr: 1.16.801 |
| | 360 | packaging: 21.3 |
| | 361 | pandas: 1.4.2 |
| | 362 | ParmEd: 3.2.0 |
| | 363 | parso: 0.8.3 |
| | 364 | pickleshare: 0.7.5 |
| | 365 | Pillow: 8.3.2 |
| | 366 | pip: 21.2.4 |
| | 367 | pkginfo: 1.7.1 |
| | 368 | prompt-toolkit: 3.0.23 |
| | 369 | psutil: 5.8.0 |
| | 370 | pycollada: 0.7.1 |
| | 371 | pydicom: 2.1.2 |
| | 372 | Pygments: 2.10.0 |
| | 373 | PyOpenGL: 3.1.5 |
| | 374 | PyOpenGL-accelerate: 3.1.5 |
| | 375 | pyparsing: 3.0.6 |
| | 376 | PyQt5-commercial: 5.15.2 |
| | 377 | PyQt5-sip: 12.8.1 |
| | 378 | PyQtWebEngine-commercial: 5.15.2 |
| | 379 | python-dateutil: 2.8.2 |
| | 380 | pytz: 2021.3 |
| | 381 | pywin32: 228 |
| | 382 | pyzmq: 22.3.0 |
| | 383 | qtconsole: 5.1.1 |
| | 384 | QtPy: 1.11.3 |
| | 385 | QtRangeSlider: 0.1.5 |
| | 386 | RandomWords: 0.3.0 |
| | 387 | requests: 2.26.0 |
| | 388 | scipy: 1.7.1 |
| | 389 | seaborn: 0.11.2 |
| | 390 | setuptools: 57.5.0 |
| | 391 | sfftk-rw: 0.7.1 |
| | 392 | six: 1.16.0 |
| | 393 | snowballstemmer: 2.2.0 |
| | 394 | sortedcontainers: 2.4.0 |
| | 395 | Sphinx: 4.2.0 |
| | 396 | sphinx-autodoc-typehints: 1.12.0 |
| | 397 | sphinxcontrib-applehelp: 1.0.2 |
| | 398 | sphinxcontrib-blockdiag: 2.0.0 |
| | 399 | sphinxcontrib-devhelp: 1.0.2 |
| | 400 | sphinxcontrib-htmlhelp: 2.0.0 |
| | 401 | sphinxcontrib-jsmath: 1.0.1 |
| | 402 | sphinxcontrib-qthelp: 1.0.3 |
| | 403 | sphinxcontrib-serializinghtml: 1.1.5 |
| | 404 | suds-jurko: 0.6 |
| | 405 | tables: 3.6.1 |
| | 406 | tifffile: 2021.4.8 |
| | 407 | tinyarray: 1.2.3 |
| | 408 | tornado: 6.1 |
| | 409 | traitlets: 5.1.1 |
| | 410 | urllib3: 1.26.7 |
| | 411 | wcwidth: 0.2.5 |
| | 412 | webcolors: 1.11.1 |
| | 413 | wheel: 0.37.0 |
| | 414 | wheel-filename: 1.3.0 |
| | 415 | WMI: 1.5.1 |
| | 416 | |
| | 417 | }}} |