Opened 4 years ago
Closed 4 years ago
#6180 closed defect (fixed)
Tug mouse mode run away
| Reported by: | Owned by: | Tom Goddard | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Editing | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-12.0.1-x86_64-i386-64bit
ChimeraX Version: 1.4.dev202202151837 (2022-02-15 18:37:03 UTC)
Description
Tugging with mouse on a model that is rotated relative to scene coordinates tugs in the wrong direction and runs away. Apparently a scene coordinate versus model coordinate problem.
Log:
UCSF ChimeraX version: 1.4.dev202202151837 (2022-02-15)
© 2016-2021 Regents of the University of California. All rights reserved.
> open /Users/goddard/ucsf/presentations/vr-nih-feb2022/data/ferritin.cxs
> format session
Opened emdb 12873 as #4, grid size 480,480,480, pixel 0.652, shown at level
0.00424, step 2, values float32
Opened emdb 12873 gaussian as #6, grid size 120,120,120, pixel 2.61, shown at
level 0.0039, step 1, values float32
Log from Tue Feb 15 17:17:52 2022 Startup Messages
---
warning | Data format provider 'ZDOCK' supplied unknown keywords with format
description: {'is_default': 'false'}
UCSF ChimeraX version: 1.4.dev202202151837 (2022-02-15)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 5n5f
5n5f title:
Crystal structure of Haliangium ochraceum encapsulated ferritin [more info...]
Chain information for 5n5f #1
---
Chain | Description | UniProt
A B C D E F G H I J | encapsulated ferritin | D0LZ73_HALO1
Non-standard residues in 5n5f #1
---
NA — sodium ion
> open /Users/goddard/Downloads/ChimeraX/AlphaFold/prediction_1/best_model.pdb
> format pdb
Chain information for best_model.pdb #2
---
Chain | Description
A | No description available
> mmaker #2 to #1/A
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 5n5f, chain A (#1) with best_model.pdb, chain A (#2), sequence
alignment score = 489.2
RMSD between 91 pruned atom pairs is 0.463 angstroms; (across all 91 pairs:
0.463)
> show atoms
> ui mousemode right tug
> open 12873 fromDatabase emdb
Summary of feedback from opening 12873 fetched from emdb
---
note | Fetching compressed map 12873 from
ftp://ftp.wwpdb.org/pub/emdb/structures/EMD-12873/map/emd_12873.map.gz
Opened emdb 12873 as #4, grid size 480,480,480, pixel 0.652, shown at level
0.0165, step 2, values float32
> view
> open 7oe2 format mmcif fromDatabase pdb
7oe2 title:
Model of closed pentamer of the Haliangium ochraceum encapsulin from symmetry
expansion of icosahedral single particle reconstruction [more info...]
Chain information for 7oe2 #5
---
Chain | Description | UniProt
1 2 3 4 5 | Haliangium ochraceum Encapsulated ferritin localisation sequence |
D0LZ73_HALO1
A B C D E | Linocin_M18 bacteriocin protein | D0LZ74_HALO1
> volume #4 level 0.00424
> hide #2 models
> hide #!1 models
> fitmap #5 inMap #4
Fit molecule 7oe2 (#5) to map emdb 12873 (#4) using 10589 atoms
average map value = 0.004732, steps = 292
shifted from previous position = 24.9
rotated from previous position = 24.5 degrees
atoms outside contour = 5952, contour level = 0.0042398
Position of 7oe2 (#5) relative to emdb 12873 (#4) coordinates:
Matrix rotation and translation
0.91053976 -0.19232066 -0.36596462 89.05634354
0.17864635 0.98133200 -0.07122497 -46.71185116
0.37283082 -0.00052507 0.92789919 -91.74084624
Axis 0.08520945 -0.89041639 0.44709954
Axis point 288.89173644 0.00000000 170.82623441
Rotation angle (degrees) 24.51047046
Shift along axis 8.16414932
> hide #5 models
> show #5 models
> hide #5 models
> show #5 models
> vop gaussian #4 sdev 1.96
Opened emdb 12873 gaussian as #6, grid size 480,480,480, pixel 0.652, shown at
step 1, values float32
> hide #5 models
> view orient
> show #5 models
> hide #5 models
> show #5 models
> hide #5 models
> show #5 models
> ui mousemode right "move picked models"
> view matrix models
> #5,0.91054,-0.19232,-0.36596,82.079,0.17865,0.98133,-0.071225,-79.04,0.37283,-0.00052507,0.9279,-116.54
> fitmap #5 inMap #6
Fit molecule 7oe2 (#5) to map emdb 12873 gaussian (#6) using 10589 atoms
average map value = 0.004612, steps = 200
shifted from previous position = 16.8
rotated from previous position = 16.7 degrees
atoms outside contour = 9560, contour level = 0.0073394
Position of 7oe2 (#5) relative to emdb 12873 gaussian (#6) coordinates:
Matrix rotation and translation
0.97774690 -0.00930949 -0.20958134 12.02272988
0.03648857 0.99133437 0.12619334 -56.63541392
0.20659038 -0.13103247 0.96961379 -43.91896589
Axis -0.52346857 -0.84693218 0.09320157
Axis point 247.91471428 0.00000000 124.90403528
Rotation angle (degrees) 14.22282997
Shift along axis 37.57951693
> hide #5 models
> show #5 models
> hide #5 models
> show #5 models
> close #6
> volume gaussian #4 sDev 5
Opened emdb 12873 gaussian as #6, grid size 480,480,480, pixel 0.652, shown at
step 1, values float32
> volume #6 level 0.003765
> fitmap #5 inMap #6
Fit molecule 7oe2 (#5) to map emdb 12873 gaussian (#6) using 10589 atoms
average map value = 0.004506, steps = 404
shifted from previous position = 9.65
rotated from previous position = 31.8 degrees
atoms outside contour = 1664, contour level = 0.0037647
Position of 7oe2 (#5) relative to emdb 12873 gaussian (#6) coordinates:
Matrix rotation and translation
0.98828342 0.12412747 -0.08881588 -36.40669678
-0.14825672 0.91899735 -0.36532701 80.16530233
0.03627444 0.37421417 0.92663257 -93.87496277
Axis 0.92677398 -0.15675997 -0.34134485
Axis point 0.00000000 292.95641979 148.35768660
Rotation angle (degrees) 23.51485417
Shift along axis -14.26375421
> volume #6 level 0.004316
> hide #!6 models
> clip
> hide #!4 models
> show #!6 models
> volume #6 level 0.003405
> ui mousemode right clip
> volume #6 level 0.004347
> help vol gauss
> close #6
> volume gaussian #4 sDev 3 step 4
Opened emdb 12873 gaussian as #6, grid size 120,120,120, pixel 2.61, shown at
step 1, values float32
> volume #6 level 0.003896
> ui mousemode right "pick blobs"
> measure blob #!6.1 triangleNumber 70394 color #0000ccff outline true
Surface emdb 12873 gaussian #6.1 blob:
volume = 78705
area = 15620
size = 78.554 66.674 42.089
> measure blob #!6.1 triangleNumber 152159 color #1ffd0bff
Surface emdb 12873 gaussian #6.1 blob:
volume = 83180
area = 15251
size = 79.229 68.325 42.064
> measure blob #!6.1.1 triangleNumber 2051 color #da0885ff
Surface cap front #6.1.1 blob:
volume = 0.00027329 (1 holes)
area = 81.723
size = 17.46 7.3457 0.013351
boundary = 48.857
> measure blob #!6.1 triangleNumber 131265 color #5c8dc0ff
Surface emdb 12873 gaussian #6.1 blob:
volume = 54398
area = 13406
size = 68.215 66.896 38.139
> measure blob #!6.1 triangleNumber 134826 color #4bcf81ff
Surface emdb 12873 gaussian #6.1 blob:
volume = 82961
area = 15802
size = 82.047 68.507 42.295
> measure blob #!6.1 triangleNumber 13368 color #98a47aff
Surface emdb 12873 gaussian #6.1 blob:
volume = 2.2105e+06
area = 3.9482e+05
size = 235.6 234.21 241.1
> open 5n5f format mmcif fromDatabase pdb
5n5f title:
Crystal structure of Haliangium ochraceum encapsulated ferritin [more info...]
Chain information for 5n5f #7
---
Chain | Description | UniProt
A B C D E F G H I J | encapsulated ferritin | D0LZ73_HALO1
Non-standard residues in 5n5f #7
---
NA — sodium ion
> ui mousemode right "move picked models"
> view matrix models #7,1,0,0,118.84,0,1,0,106.24,0,0,1,-92.01
> lighting simple
> view matrix models #7,1,0,0,193.89,0,1,0,196.86,0,0,1,9.9052
> view matrix models #7,1,0,0,191.91,0,1,0,179.73,0,0,1,10.296
> hide #5 models
> fitmap #7 inMap #6
Fit molecule 5n5f (#7) to map emdb 12873 gaussian (#6) using 15189 atoms
average map value = 0.002953, steps = 96
shifted from previous position = 12.8
rotated from previous position = 38.1 degrees
atoms outside contour = 10606, contour level = 0.0038961
Position of 5n5f (#7) relative to emdb 12873 gaussian (#6) coordinates:
Matrix rotation and translation
0.79420998 -0.17641893 -0.58146957 281.59908754
0.10003328 0.98182972 -0.16125679 199.41346375
0.59935286 0.06990545 0.79742672 47.85089785
Axis 0.18723862 -0.95645189 0.22392294
Axis point 44.78580067 0.00000000 509.42629818
Rotation angle (degrees) 38.11873553
Shift along axis -127.28824487
> show #5 models
> hide #!6 models
> clip false
Expected a keyword
> clip off
> open /Users/goddard/ucsf/presentations/vr-nih-
> feb2022/data/alphafold_uniprot_D0LZ73.pdb
Summary of feedback from opening /Users/goddard/ucsf/presentations/vr-nih-
feb2022/data/alphafold_uniprot_D0LZ73.pdb
---
warning | Ignored bad PDB record found on line 2026
Chain information for alphafold_uniprot_D0LZ73.pdb #8
---
Chain | Description
A | No description available
> mmaker #8 to #7/G
Parameters
---
Chain pairing | bb
Alignment algorithm | Needleman-Wunsch
Similarity matrix | BLOSUM-62
SS fraction | 0.3
Gap open (HH/SS/other) | 18/18/6
Gap extend | 1
SS matrix | | | H | S | O
---|---|---|---
H | 6 | -9 | -6
S | | 6 | -6
O | | | 4
Iteration cutoff | 2
Matchmaker 5n5f, chain G (#7) with alphafold_uniprot_D0LZ73.pdb, chain A (#8),
sequence alignment score = 487.4
RMSD between 92 pruned atom pairs is 0.443 angstroms; (across all 92 pairs:
0.443)
> close #3
> close #1
> close #2
> lighting soft
> show #8
> save /Users/goddard/ucsf/presentations/vr-nih-feb2022/data/ferritin.cxs
> ui tool show "Show Sequence Viewer"
> sequence chain #8
Alignment identifier is 8/A
> select #8/A:117
7 atoms, 6 bonds, 1 residue, 1 model selected
> select #8/A:117-125
124 atoms, 123 bonds, 9 residues, 1 model selected
> color sel magenta
> color sel byhetero
> select clear
> save /Users/goddard/ucsf/presentations/vr-nih-feb2022/data/ferritin.cxs
——— End of log from Tue Feb 15 17:17:52 2022 ———
opened ChimeraX session
> ui mousemode right tug
OpenGL version: 4.1 ATI-4.7.29
OpenGL renderer: AMD Radeon Pro 580 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.
Locale: UTF-8
Qt version: PyQt5 5.15.2, Qt 5.15.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: iMac
Model Identifier: iMac18,3
Processor Name: Quad-Core Intel Core i7
Processor Speed: 4.2 GHz
Number of Processors: 1
Total Number of Cores: 4
L2 Cache (per Core): 256 KB
L3 Cache: 8 MB
Hyper-Threading Technology: Enabled
Memory: 32 GB
System Firmware Version: 447.40.12.0.0
OS Loader Version: 540.40.4~45
SMC Version (system): 2.41f2
Software:
System Software Overview:
System Version: macOS 12.0.1 (21A559)
Kernel Version: Darwin 21.1.0
Time since boot: 110 days 21 minutes
Graphics/Displays:
Radeon Pro 580:
Chipset Model: Radeon Pro 580
Type: GPU
Bus: PCIe
PCIe Lane Width: x16
VRAM (Total): 8 GB
Vendor: AMD (0x1002)
Device ID: 0x67df
Revision ID: 0x00c0
ROM Revision: 113-D000AA-931
VBIOS Version: 113-D0001A1X-025
EFI Driver Version: 01.00.931
Metal Family: Supported, Metal GPUFamily macOS 2
Displays:
iMac:
Display Type: Built-In Retina LCD
Resolution: Retina 5K (5120 x 2880)
Framebuffer Depth: 30-Bit Color (ARGB2101010)
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
appnope: 0.1.2
Babel: 2.9.1
backcall: 0.2.0
blockdiag: 3.0.0
certifi: 2021.5.30
cftime: 1.5.2
charset-normalizer: 2.0.12
ChimeraX-AddCharge: 1.2.3
ChimeraX-AddH: 2.1.11
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.2.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.36.2
ChimeraX-AtomicLibrary: 6.0.1
ChimeraX-AtomSearch: 2.0
ChimeraX-AtomSearchLibrary: 1.0
ChimeraX-AxesPlanes: 2.1
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.0
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.6.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.2
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.2.2
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.1
ChimeraX-CommandLine: 1.2.1
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.4.dev202202151837
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.3.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.2.2
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1.5
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-Geometry: 1.1
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1
ChimeraX-Hbonds: 2.1.2
ChimeraX-Help: 1.2
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
ChimeraX-Label: 1.1
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 2.0.6
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.7
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.5.1
ChimeraX-ModelPanel: 1.3.2
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.2
ChimeraX-OpenCommand: 1.8
ChimeraX-PDB: 2.6.6
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0.1
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.4.6
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.1
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.7.7
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.0.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.16
ChimeraX-uniprot: 2.2
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.1.1
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.0
ChimeraX-Zone: 1.0
colorama: 0.4.4
cxservices: 1.1
cycler: 0.11.0
Cython: 0.29.26
debugpy: 1.5.1
decorator: 5.1.1
docutils: 0.17.1
entrypoints: 0.4
filelock: 3.4.2
fonttools: 4.29.1
funcparserlib: 1.0.0a0
grako: 3.16.5
h5py: 3.6.0
html2text: 2020.1.16
idna: 3.3
ihm: 0.26
imagecodecs: 2021.11.20
imagesize: 1.3.0
ipykernel: 6.6.1
ipython: 7.31.1
ipython-genutils: 0.2.0
jedi: 0.18.1
Jinja2: 3.0.3
jupyter-client: 7.1.0
jupyter-core: 4.9.2
kiwisolver: 1.3.2
line-profiler: 3.4.0
lxml: 4.7.1
lz4: 3.1.10
MarkupSafe: 2.0.1
matplotlib: 3.5.1
matplotlib-inline: 0.1.3
msgpack: 1.0.3
nest-asyncio: 1.5.4
netCDF4: 1.5.8
networkx: 2.6.3
numexpr: 2.8.1
numpy: 1.22.1
openvr: 1.16.802
packaging: 21.0
ParmEd: 3.4.3
parso: 0.8.3
pexpect: 4.8.0
pickleshare: 0.7.5
Pillow: 9.0.0
pip: 21.3.1
pkginfo: 1.8.2
prompt-toolkit: 3.0.28
psutil: 5.9.0
ptyprocess: 0.7.0
pycollada: 0.7.2
pydicom: 2.2.2
Pygments: 2.11.2
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.7
PyQt5: 5.15.2
PyQt5-sip: 12.8.1
PyQtWebEngine: 5.15.2
python-dateutil: 2.8.2
pytz: 2021.3
pyzmq: 22.3.0
qtconsole: 5.2.2
QtPy: 2.0.1
RandomWords: 0.3.0
requests: 2.27.1
scipy: 1.7.3
setuptools: 59.8.0
sfftk-rw: 0.7.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
Sphinx: 4.3.2
sphinx-autodoc-typehints: 1.15.2
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
suds-community: 1.0.0
tables: 3.7.0
tifffile: 2021.11.2
tinyarray: 1.2.4
tornado: 6.1
traitlets: 5.1.1
urllib3: 1.26.8
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.37.1
wheel-filename: 1.3.0
Change History (2)
comment:1 by , 4 years ago
| Component: | Unassigned → Structure Editing |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → Tug mouse mode run away |
comment:2 by , 4 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
Note:
See TracTickets
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Fixed.
Tug direction was using vector in scene coordinates where a vector in model coordinates was needed. Didn't matter if the model was only translated, but if it was rotated it led to run away tugging away from current mouse position.