Opened 5 years ago
Last modified 5 years ago
#4422 assigned defect
Version misreported
| Reported by: | Tristan Croll | Owned by: | Greg Couch |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Platform | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Linux-3.10.0-1127.19.1.el7.x86_64-x86_64-with-centos-7.8.2003-Core
ChimeraX Version: 1.1 (2020-09-09 22:22:27 UTC)
Description
Super-minor thing, but I have both ChimeraX 1.1 and a recent daily build installed in the same Linux system. When I'm running 1.1, the version is misreported as 1.2.dev... in the Linux menu bar (see attached screenshot).
Log:
> alias preview_toolshed toolshed url https://cxtoolshed-
> preview.rbvi.ucsf.edu; toolshed reload available
> alias production_toolshed toolshed url https://cxtoolshed.rbvi.ucsf.edu;
> toolshed reload available
> alias st isolde step $*
> alias aw isolde add water $*
> alias awsf isolde add water sim false
> alias al isolde add ligand $*
> alias so setattr sel atoms occupancy $*
UCSF ChimeraX version: 1.1 (2020-09-09)
© 2016-2020 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 7bv2.pdb
7bv2.pdb title:
The NSP12-NSP7-NSP8 complex bound to the template-primer RNA and triphosphate
form of remdesivir(RTP) [more info...]
Chain information for 7bv2.pdb #1
---
Chain | Description
A | sars-cov-2 NSP12
B | sars-cov-2 NSP8
C | sars-cov-2 NSP7
P | primer
T | templete
Non-standard residues in 7bv2.pdb #1
---
F86 —
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-F][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl
dihydrogen phosphate
MG — magnesium ion
POP — pyrophosphate 2-
ZN — zinc ion
> open working.cif
Summary of feedback from opening working.cif
---
warnings | Unknown polymer entity '1' near line 155
Unknown polymer entity '2' near line 13550
Unknown polymer entity '3' near line 15303
Unknown polymer entity '4' near line 16298
Unable to infer polymer connectivity due to unspecified label_seq_id for
residue "RMP" near line 16648
Unknown polymer entity '5' near line 16684
Atom O2 is not in the residue template for RMP /P:101
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.
note | Fetching CCD RMP from http://ligand-expo.rcsb.org/reports/R/RMP/RMP.cif
Chain information for working.cif #2
---
Chain | Description
A | ?
B | ?
C | ?
P | ?
T | ?
> open EMD-30210.mrc
Opened EMD-30210.mrc, grid size 192,192,192, pixel 1.01, shown at level
0.0278, step 1, values float32
> clipper associate #3 toModel #1
7bv2.pdb title:
The NSP12-NSP7-NSP8 complex bound to the template-primer RNA and triphosphate
form of remdesivir(RTP) [more info...]
Chain information for 7bv2.pdb
---
Chain | Description
1.2/A | sars-cov-2 NSP12
1.2/B | sars-cov-2 NSP8
1.2/C | sars-cov-2 NSP7
1.2/P | primer
1.2/T | templete
Non-standard residues in 7bv2.pdb #1.2
---
F86 —
[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-F][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl
dihydrogen phosphate
MG — magnesium ion
POP — pyrophosphate 2-
ZN — zinc ion
> clipper spotlight #2
Chain information for working.cif
---
Chain | Description
2.2/A | ?
2.2/B | ?
2.2/C | ?
2.2/P | ?
2.2/T | ?
> set bgColor white
> isolde start
> set selectionWidth 4
Done loading forcefield
> volume gaussian #1 bfactor 50
> clipper associate #3 toModel #1
> addh
Summary of feedback from adding hydrogens to multiple structures
---
warnings | Not adding hydrogens to 7bv2.pdb #1.2/A LYS 98 CB because it is
missing heavy-atom bond partners
Not adding hydrogens to 7bv2.pdb #1.2/A ASP 100 CB because it is missing
heavy-atom bond partners
Not adding hydrogens to 7bv2.pdb #1.2/A ASP 218 CB because it is missing
heavy-atom bond partners
Not adding hydrogens to 7bv2.pdb #1.2/A ARG 365 CB because it is missing
heavy-atom bond partners
Not adding hydrogens to 7bv2.pdb #1.2/A ASP 824 CB because it is missing
heavy-atom bond partners
19 messages similar to the above omitted
notes | Termini for 7bv2.pdb (#1.2) chain A determined from SEQRES records
Termini for 7bv2.pdb (#1.2) chain B determined from SEQRES records
Termini for 7bv2.pdb (#1.2) chain C determined from SEQRES records
Termini for 7bv2.pdb (#1.2) chain P determined from SEQRES records
Termini for 7bv2.pdb (#1.2) chain T determined from SEQRES records
Chain-initial residues that are actual N termini:
Chain-initial residues that are not actual N termini: 7bv2.pdb #1.2/A VAL 31,
7bv2.pdb #1.2/A GLU 84, 7bv2.pdb #1.2/A ARG 118, 7bv2.pdb #1.2/A MET 906,
7bv2.pdb #1.2/B ASP 78, 7bv2.pdb #1.2/C LYS 2, 7bv2.pdb #1.2/P G 10, 7bv2.pdb
#1.2/T U 8
Chain-final residues that are actual C termini: 7bv2.pdb #1.2/P U 20
Chain-final residues that are not actual C termini: 7bv2.pdb #1.2/A LYS 50,
7bv2.pdb #1.2/A ASP 100, 7bv2.pdb #1.2/A LEU 895, 7bv2.pdb #1.2/A GLU 919,
7bv2.pdb #1.2/B ALA 191, 7bv2.pdb #1.2/C GLY 64, 7bv2.pdb #1.2/T C 21
858 hydrogen bonds
Adding 'H' to 7bv2.pdb #1.2/A VAL 31
Adding 'H' to 7bv2.pdb #1.2/A GLU 84
Adding 'H' to 7bv2.pdb #1.2/A ARG 118
Adding 'H' to 7bv2.pdb #1.2/A MET 906
Adding 'H' to 7bv2.pdb #1.2/B ASP 78
1 messages similar to the above omitted
7bv2.pdb #1.2/A GLU 919 is not terminus, removing H atom from 'C'
7bv2.pdb #1.2/B ALA 191 is not terminus, removing H atom from 'C'
7bv2.pdb #1.2/C GLY 64 is not terminus, removing H atom from 'C'
No usable SEQRES records for working.cif (#2.2) chain A; guessing termini
instead
No usable SEQRES records for working.cif (#2.2) chain B; guessing termini
instead
No usable SEQRES records for working.cif (#2.2) chain C; guessing termini
instead
No usable SEQRES records for working.cif (#2.2) chain P; guessing termini
instead
No usable SEQRES records for working.cif (#2.2) chain T; guessing termini
instead
Chain-initial residues that are actual N termini: working.cif #2.2/A VAL 31,
working.cif #2.2/B ASP 78, working.cif #2.2/C LYS 2, working.cif #2.2/P G 10,
working.cif #2.2/T U 8
Chain-initial residues that are not actual N termini: working.cif #2.2/A GLU
84, working.cif #2.2/A ARG 118, working.cif #2.2/A ASN 911
Chain-final residues that are actual C termini: working.cif #2.2/P RMP 101,
working.cif #2.2/T C 21
Chain-final residues that are not actual C termini: working.cif #2.2/A THR
929, working.cif #2.2/A LYS 50, working.cif #2.2/A ASP 100, working.cif #2.2/A
LEU 895, working.cif #2.2/B ALA 191, working.cif #2.2/C GLY 64
1149 hydrogen bonds
working.cif #2.2/A THR 929 is not terminus, removing H atom from 'C'
working.cif #2.2/B ALA 191 is not terminus, removing H atom from 'C'
working.cif #2.2/C GLY 64 is not terminus, removing H atom from 'C'
8099 hydrogens added
> hide #!2 models
> view /A:505
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> hide #!2 models
> select clear
> hide #!1.1.1.2 models
> graphics silhouettes true
> save b183_transpro.jpg
> show #!2 models
> hide #!1 models
> show #!1 models
> hide #!1.2 models
> select clear
> cofr showPivot false
> hide #!2 models
> show #!1.1.1.2 models
> hide #!1.1.1.2 models
> show #!1.2 models
> select clear
> save b183_transpro.jpg
> hide #!1.2 models
> show #!2 models
> save b183_cisspro.jpg
> view /A:505
> hide #!2 models
> show #!1.2 models
> view /B:505
No objects specified.
> view /B:183
> hide #!1.2 models
> show #!2 models
> windowsize size
Expected an integer >= 1 or a keyword
> windowsize
window size 1339 868
> save b183_cispro.png supersample 3 width 2678 height 1736
> show #!1.2 models
> hide #!2 models
> save b183_transpro.png supersample 3 width 2678 height 1736
OpenGL version: 3.3.0 NVIDIA 455.32.00
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
total used free shared buff/cache available
Mem: 62G 4.4G 47G 156M 11G 57G
Swap: 4.9G 0B 4.9G
Graphics:
03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)
Subsystem: NVIDIA Corporation Device [10de:11df]
Kernel driver in use: nvidia
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.9
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
Babel: 2.8.0
backcall: 0.2.0
blockdiag: 2.0.1
certifi: 2020.6.20
chardet: 3.0.4
ChimeraX-AddH: 2.1.3
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.1
ChimeraX-Arrays: 1.0
ChimeraX-Async: 0.1
ChimeraX-Atomic: 1.6.1
ChimeraX-AtomSearch: 2.0
ChimeraX-AxesPlanes: 2.0
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 1.0.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.0
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.0
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.1
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.0
ChimeraX-Clipper: 0.15.0
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-CommandLine: 1.1.3
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.1
ChimeraX-CoreFormats: 1.0
ChimeraX-coulombic: 1.0.1
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-DataFormats: 1.0
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1
ChimeraX-DistUI: 1.0
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: 1.0
ChimeraX-Hbonds: 2.0
ChimeraX-Help: 1.0
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.0
ChimeraX-ImageFormats: 1.0
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0
ChimeraX-ISOLDE: 1.1.0
ChimeraX-Label: 1.0
ChimeraX-LinuxSupport: 1.0
ChimeraX-ListInfo: 1.0
ChimeraX-Log: 1.1.1
ChimeraX-LookingGlass: 1.1
ChimeraX-Map: 1.0.1
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.0
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 1.1
ChimeraX-MDcrds: 2.0
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.0
ChimeraX-mmCIF: 2.2
ChimeraX-MMTF: 2.0
ChimeraX-Modeller: 1.0
ChimeraX-ModelPanel: 1.0
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.0
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0
ChimeraX-OpenCommand: 1.2.1
ChimeraX-PDB: 2.1
ChimeraX-PDBBio: 1.0
ChimeraX-Phenix: 0.1
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.0
ChimeraX-PubChem: 2.0
ChimeraX-Read-Pbonds: 1.0
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.0
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.2
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SeqView: 2.2
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.0
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.0
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.0.4
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-Struts: 1.0
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.0
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.0
ChimeraX-ToolshedUtils: 1.0
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.2.3
ChimeraX-uniprot: 2.0
ChimeraX-ViewDockX: 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: 0.4.3
comtypes: 1.1.7
cxservices: 1.0
cycler: 0.10.0
Cython: 0.29.20
decorator: 4.4.2
distlib: 0.3.1
distro: 1.5.0
docutils: 0.16
filelock: 3.0.12
funcparserlib: 0.3.6
grako: 3.16.5
graphviz: 0.14.1
h5py: 2.10.0
html2text: 2020.1.16
idna: 2.10
ihm: 0.16
imagecodecs: 2020.5.30
imagecodecs-lite: 2020.1.31
imagesize: 1.2.0
ipykernel: 5.3.0
ipython: 7.15.0
ipython-genutils: 0.2.0
jedi: 0.17.2
Jinja2: 2.11.2
jupyter-client: 6.1.3
jupyter-core: 4.6.3
kiwisolver: 1.2.0
line-profiler: 2.1.2
lxml: 4.5.1
MarkupSafe: 1.1.1
matplotlib: 3.2.1
msgpack: 1.0.0
netifaces: 0.10.9
networkx: 2.4
numexpr: 2.7.1
numpy: 1.18.5
numpydoc: 1.0.0
objgraph: 3.4.1
openvr: 1.12.501
packaging: 20.4
ParmEd: 3.2.0
parso: 0.7.1
pexpect: 4.8.0
pickleshare: 0.7.5
Pillow: 7.1.2
pip: 20.2.2
pkginfo: 1.5.0.1
prompt-toolkit: 3.0.7
psutil: 5.7.0
ptyprocess: 0.6.0
pycollada: 0.7.1
pydicom: 2.0.0
Pygments: 2.6.1
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 2.4.7
PyQt5-commercial: 5.12.3
PyQt5-sip: 4.19.19
PyQtWebEngine-commercial: 5.12.1
python-dateutil: 2.8.1
pytz: 2020.1
pyzmq: 19.0.2
qtconsole: 4.7.4
QtPy: 1.9.0
RandomWords: 0.3.0
requests: 2.24.0
scipy: 1.4.1
Send2Trash: 1.5.0
SEQCROW: 0.24.3
setuptools: 49.4.0
sfftk-rw: 0.6.6.dev0
six: 1.15.0
snowballstemmer: 2.0.0
sortedcontainers: 2.2.2
Sphinx: 3.1.1
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 2.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 1.0.3
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.4
suds-jurko: 0.6
tables: 3.6.1
tifffile: 2020.6.3
tinyarray: 1.2.2
tornado: 6.0.4
traitlets: 5.0.4
urllib3: 1.25.10
versioneer: 0.18
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.34.2
File attachment: chimerax_wrong_version_display.png
Attachments (1)
Change History (3)
by , 5 years ago
| Attachment: | chimerax_wrong_version_display.png added |
|---|
comment:1 by , 5 years ago
| Component: | Unassigned → Platform |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → Version misreported |
comment:2 by , 5 years ago
I can reproduce this. This is due to the StartupWMClass in the .desktop file being the same for each version. And the last one installed wins.
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