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Opened 5 months ago
Last modified 5 months ago
#17886 assigned defect
isolde sim start sel: OpenMMException: There is no registered Platform called "HIP"
| Reported by: | Owned by: | Tristan Croll | |
|---|---|---|---|
| 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-10-10.0.26100
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
isolde sim start sel
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.9 (2024-12-11)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open L:\Graphics\GRPHX01\CCP4I2_PROJECTS\c2sp-bcb2037-may6-2025\c2aSP-
> bcb2037_5.1_refmac4-coot-0.pdb format pdb
c2aSP-bcb2037_5.1_refmac4-coot-0.pdb title:
\--- [more info...]
Chain information for c2aSP-bcb2037_5.1_refmac4-coot-0.pdb #1
---
Chain | Description
A | No description available
H | No description available
L | No description available
Computing secondary structure
> color bychain
> split
Split c2aSP-bcb2037_5.1_refmac4-coot-0.pdb (#1) into 3 models
Chain information for c2aSP-bcb2037_5.1_refmac4-coot-0.pdb A #1.1
---
Chain | Description
A | No description available
Chain information for c2aSP-bcb2037_5.1_refmac4-coot-0.pdb H #1.2
---
Chain | Description
H | No description available
Chain information for c2aSP-bcb2037_5.1_refmac4-coot-0.pdb L #1.3
---
Chain | Description
L | No description available
> open 2odp
Summary of feedback from opening 2odp fetched from pdb
---
notes | Fetching compressed mmCIF 2odp from http://files.rcsb.org/download/2odp.cif
Fetching CCD NAG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif
2odp title:
Complement component C2a, the catalytic fragment of C3- and C5-convertase of
human complement [more info...]
Chain information for 2odp #2
---
Chain | Description | UniProt
A | Complement C2 | CO2_HUMAN 224-732
Non-standard residues in 2odp #2
---
MG — magnesium ion
NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine;
2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE)
> ui tool show Matchmaker
> matchmaker #!2 to #1.1
Computing secondary structure
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 c2aSP-bcb2037_5.1_refmac4-coot-0.pdb A, chain A (#1.1) with 2odp,
chain A (#2), sequence alignment score = 1355.6
RMSD between 236 pruned atom pairs is 0.719 angstroms; (across all 277 pairs:
1.824)
QWindowsWindow::setGeometry: Unable to set geometry 1911x522-1469+233 (frame:
1939x601-1483+168) on QWidgetWindow/"QDockWidgetClassWindow" on "ASV27-2P".
Resulting geometry: 1911x499-1469+256 (frame: 1939x578-1483+191) margins: 14,
65, 14, 14 minimum size: 486x330 maximum size: 524287x524287
MINMAXINFO(maxSize=POINT(x=0, y=0), maxpos=POINT(x=0, y=0),
maxtrack=POINT(x=1179674, y=1179725), mintrack=POINT(x=1122, y=822)))
Drag select of 214 residues, 71 atoms, 6 pseudobonds, 53 bonds
> delete atoms (#1.1#!2 & sel)
> delete bonds (#1.1#!2 & sel)
> select add #2
2531 atoms, 2338 bonds, 4 pseudobonds, 537 residues, 3 models selected
> save L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-
> bcb2037-may6-2025/2odptrun.fasta
No alignments open!
> save L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-
> bcb2037-may6-2025/2odp_truncated.pdb models #2 selectedOnly true
> save L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-
> bcb2037-may6-2025/2odp_trun.fasta
No alignments open!
> ui tool show "Show Sequence Viewer"
> sequence chain #2/A
Alignment identifier is 2/A
> save L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-bcb2037-may6-2025/2odp-
> trn.fasta
> close session
> open L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-bcb2037-may6-2025/c2aSP-
> bcb2037_11.1_refmac2.pdb
c2aSP-bcb2037_11.1_refmac2.pdb title:
\--- [more info...]
Chain information for c2aSP-bcb2037_11.1_refmac2.pdb #1
---
Chain | Description
A | No description available
H | No description available
L | No description available
Non-standard residues in c2aSP-bcb2037_11.1_refmac2.pdb #1
---
NAG — (NAG)
Computing secondary structure
QWindowsWindow::setGeometry: Unable to set geometry 863x605-588+392 (frame:
891x684-602+327) on QWidgetWindow/"QDockWidgetClassWindow" on "ASV27-2P".
Resulting geometry: 863x582-588+415 (frame: 891x661-602+350) margins: 14, 65,
14, 14 minimum size: 140x71 maximum size: 524287x524287
MINMAXINFO(maxSize=POINT(x=0, y=0), maxpos=POINT(x=0, y=0),
maxtrack=POINT(x=1179674, y=1179725), mintrack=POINT(x=343, y=239)))
QWindowsNativeFileDialogBase::shellItem : Unhandled scheme: "data"
> open L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-bcb2037-may6-2025/c2aSP-
> bcb2037_11.1_refmac1.mtz
Summary of feedback from opening L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-
bcb2037-may6-2025/c2aSP-bcb2037_11.1_refmac1.mtz
---
warnings | WARNING: multiple experimental reflection datasets found:
(dataset) HKL_base,
(dataset) F_a, SIGF_a
Automatically choosing "(dataset) F_a, SIGF_a".
No free flags detected in this dataset! Automatically generated a new random
set with 1924 free from 38887 observed reflections. You should save your data
to a new MTZ file and use this for any future rebuilding/refinement.
notes | Discarding unrecognised/unsupported data array /1/a/FOM W
Launching live xmap mgr took 0.9476356506347656 seconds.
Opened (LIVE) 2mFo-DFc as #1.1.1.2, grid size 54,48,46, pixel
0.56,0.535,0.538, shown at level 0.557, step 1, values float32
Opened (LIVE) mFo-DFc as #1.1.1.3, grid size 54,48,46, pixel 0.56,0.535,0.538,
shown at level -0.196,0.196, step 1, values float32
Opened (LIVE) 2mFo-DFc_smooth_10 as #1.1.1.4, grid size 54,48,46, pixel
0.56,0.535,0.538, shown at level 0.19, step 1, values float32
Opened (STATIC) (dataset) FC, PHIC as #1.1.1.5, grid size 54,48,46, pixel
0.56,0.535,0.538, shown at level 0.744, step 1, values float32
Opened (STATIC) (dataset) FC_ALL, PHIC_ALL as #1.1.1.6, grid size 54,48,46,
pixel 0.56,0.535,0.538, shown at level -0.614,0.614, step 1, values float32
Opened (STATIC) (dataset) FWT, PHWT as #1.1.1.7, grid size 54,48,46, pixel
0.56,0.535,0.538, shown at level 0.624, step 1, values float32
Opened (STATIC) (dataset) DELFWT, PHDELWT as #1.1.1.8, grid size 54,48,46,
pixel 0.56,0.535,0.538, shown at level -0.416,0.416, step 1, values float32
Opened (STATIC) (dataset) FC_ALL_LS, PHIC_ALL_LS as #1.1.1.9, grid size
54,48,46, pixel 0.56,0.535,0.538, shown at level -0.676,0.676, step 1, values
float32
c2aSP-bcb2037_11.1_refmac2.pdb title:
\--- [more info...]
Chain information for c2aSP-bcb2037_11.1_refmac2.pdb
---
Chain | Description
1.2/A | No description available
1.2/H | No description available
1.2/L | No description available
Non-standard residues in c2aSP-bcb2037_11.1_refmac2.pdb #1.2
---
NAG — (NAG)
Opened crystallographic dataset from L:/Graphics/GRPHX01/CCP4I2_PROJECTS/c2sp-
bcb2037-may6-2025/c2aSP-bcb2037_11.1_refmac1.mtz
Found experimental reflection data:
(dataset) F_a, SIGF_a
Rwork: 0.3246; Rfree: 0.3166
Generated maps:
Reflection Data
(LIVE) 2mFo-DFc
(LIVE) mFo-DFc
(LIVE) 2mFo-DFc_smooth_10
(STATIC) (dataset) FC, PHIC
(STATIC) (dataset) FC_ALL, PHIC_ALL
(STATIC) (dataset) FWT, PHWT
(STATIC) (dataset) DELFWT, PHDELWT
(STATIC) (dataset) FC_ALL_LS, PHIC_ALL_LS
Any unwanted maps may be safely closed via the Model panel.
> stereo on
Unknown command: stereo on
> camera stereo
> hide #!1.1.1.1 models
> hide #!1.1.1.5 models
> hide #!1.1.1.6 models
> hide #!1.1.1.4 models
> hide #!1.1.1.3 models
> hide #!1.1.1.2 models
> select add #1.1.1.7
2 models selected
> ui tool show "Volume Viewer"
> volume #1.1.1.2 level 0.5215
> select subtract #1.1.1.7
Nothing selected
> select add #1.1.1.7.1
1 model selected
> select subtract #1.1.1.7.1
Nothing selected
> volume #1.1.1.7 level 0.402
> volume #1.1.1.8 level -0.4163 level 0.2879
> ui tool show ISOLDE
> set selectionWidth 4
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...
ISOLDE: Corrected atom nomenclature of 52 residues in model #1.2 to IUPAC-IUB
standards.
Cached rota8000-val data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-leu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-ile data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-pro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-phe data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-tyr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-trp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-ser data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-thr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-cys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-met data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-lys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-his data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-arg data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-asp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-asn data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-gln data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rota8000-glu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rama8000-cispro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rama8000-transpro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rama8000-gly-sym data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time
Cached rama8000-prepro-noGP data not found. Regenerating from text file. This
is normal if running ISOLDE for the first time
Cached rama8000-ileval-nopreP data not found. Regenerating from text file.
This is normal if running ISOLDE for the first time
Cached rama8000-general-noGPIVpreP data not found. Regenerating from text
file. This is normal if running ISOLDE for the first time
Opened (LIVE) MDFF potential as #1.1.1.10, grid size 54,48,46, pixel
0.56,0.535,0.538, shown at level 0.479, step 1, values float32
Forcefield cache not found or out of date. Regenerating from ffXML files. This
is normal if running ISOLDE for the first time, or after upgrading OpenMM.
Done loading forcefield
> isolde set simFidelityMode Highest/Slowest
ISOLDE: setting sim fidelity mode to Highest/Slowest
nonbonded_cutoff_distance = 1.700000
use_gbsa = True
gbsa_cutoff = 2.000000
> isolde cisflip #1.2/H:1034
Sim termination reason: None
Updating bulk solvent parameters...
ISOLDE: stopped sim
> addh #1.2
Summary of feedback from adding hydrogens to c2aSP-bcb2037_11.1_refmac2.pdb
#1.2
---
warning | Not adding hydrogens to /A LYS 701 CB because it is missing heavy-atom bond partners
notes | No usable SEQRES records for c2aSP-bcb2037_11.1_refmac2.pdb (#1.2) chain A; guessing termini instead
No usable SEQRES records for c2aSP-bcb2037_11.1_refmac2.pdb (#1.2) chain H;
guessing termini instead
No usable SEQRES records for c2aSP-bcb2037_11.1_refmac2.pdb (#1.2) chain L;
guessing termini instead
Chain-initial residues that are actual N termini: /A SER 436, /H GLU 1, /L GLU
1
Chain-initial residues that are not actual N termini: /A THR 471, /A TRP 498,
/A ARG 574, /A ASN 692, /H GLU 11, /H THR 35, /H TYR 62, /H GLY 74, /H ASP
113, /H ALA 1001, /L ASN 65, /L ARG 1001
Chain-final residues that are actual C termini:
Chain-final residues that are not actual C termini: /A LEU 730, /A PRO 466, /A
PHE 489, /A LEU 572, /A LEU 686, /H LYS 1101, /H ALA 9, /H PHE 30, /H ASN 59,
/H LYS 72, /H HIS 110, /H SER 128, /L CYS 1107, /L GLY 57, /L LYS 127
585 hydrogen bonds
Adding 'H' to /A THR 471
Adding 'H' to /A TRP 498
Adding 'H' to /A ARG 574
Adding 'H' to /A ASN 692
Adding 'H' to /H GLU 11
7 messages similar to the above omitted
/A LEU 730 is not terminus, removing H atom from 'C'
/H LYS 1101 is not terminus, removing H atom from 'C'
/L CYS 1107 is not terminus, removing H atom from 'C'
5392 hydrogens added
Fetching CCD A2G from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/A2G/A2G.cif
Fetching CCD NGA from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/A/NGA/NGA.cif
Fetching CCD BM3 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/3/BM3/BM3.cif
Fetching CCD BM7 from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/7/BM7/BM7.cif
Fetching CCD NDG from
https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NDG/NDG.cif
> select ::name="NAG"
29 atoms, 29 bonds, 1 residue, 1 model selected
> delete sel
> isolde cisflip #1.2/H:1034
ISOLDE: started sim
> isolde cisflip #1.2/H:1036
[Repeated 1 time(s)]
> stereo
Unknown command: stereo
> camera stereo
Sim termination reason: None
Updating bulk solvent parameters...
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...
ISOLDE: Corrected atom nomenclature of 2 residues in model #1.2 to IUPAC-IUB
standards.
ISOLDE: stopped sim
> set bgColor white
> set bgColor #ffffff00
> hide #!1.1.1.7 models
> hide #1.1.1.7.1 models
> hide #1.1.1.7.2 models
> hide #!1.1.1.8 models
> hide #!1.1.1.9 models
> show #!1.1.1.1 models
> ui tool show "Volume Viewer"
> volume #1.1.1.2 level 0.1963
> volume #1.1.1.3 level -0.1958 level 0.1137
> rama showFavored false
> select #1
10862 atoms, 10976 bonds, 12 pseudobonds, 710 residues, 57 models selected
> isolde sim start sel
> set selectionWidth 4
Done loading forcefield
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.9\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 319, in execute
cmd.run(cmd_text)
File "C:\Program Files\ChimeraX 1.9\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users\Rkrishnan\AppData\Local\UCSF\ChimeraX\1.9\Python311\site-
packages\chimerax\isolde\cmd\cmd.py", line 122, in isolde_sim
isolde.start_sim()
File "C:\Users\Rkrishnan\AppData\Local\UCSF\ChimeraX\1.9\Python311\site-
packages\chimerax\isolde\isolde.py", line 896, in start_sim
sm.start_sim()
File "C:\Users\Rkrishnan\AppData\Local\UCSF\ChimeraX\1.9\Python311\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 401, in start_sim
sh.start_sim()
File "C:\Users\Rkrishnan\AppData\Local\UCSF\ChimeraX\1.9\Python311\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1432, in start_sim
self._prepare_sim()
File "C:\Users\Rkrishnan\AppData\Local\UCSF\ChimeraX\1.9\Python311\site-
packages\chimerax\isolde\openmm\openmm_interface.py", line 1364, in
_prepare_sim
platform = openmm.Platform.getPlatformByName(params.platform)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.9\bin\Lib\site-packages\openmm\openmm.py",
line 16445, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: There is no registered Platform called "HIP"
openmm.OpenMMException: There is no registered Platform called "HIP"
File "C:\Program Files\ChimeraX 1.9\bin\Lib\site-packages\openmm\openmm.py",
line 16445, in getPlatformByName
return _openmm.Platform_getPlatformByName(name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> isolde set simFidelityMode Highest/Slowest
ISOLDE: setting sim fidelity mode to Highest/Slowest
nonbonded_cutoff_distance = 1.700000
use_gbsa = True
gbsa_cutoff = 2.000000
OpenGL version: 3.3.0 NVIDIA 556.18
OpenGL renderer: NVIDIA RTX 4500 Ada Generation/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.4
Locale: en_US.cp1252
Qt version: PyQt6 6.7.1, Qt 6.7.1
Qt runtime version: 6.7.3
Qt platform: windows
Manufacturer: LENOVO
Model: 30GUSJKD00
OS: Microsoft Windows 11 Pro (Build 26100)
Memory: 68,333,514,752
MaxProcessMemory: 137,438,953,344
CPU: 28 Intel(R) Core(TM) i7-14700
OSLanguage: en-US
Installed Packages:
alabaster: 1.0.0
anyio: 4.7.0
appdirs: 1.4.4
asttokens: 3.0.0
auditwheel: 6.1.0
autocommand: 2.2.2
babel: 2.16.0
backports.tarfile: 1.2.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 3.0.0
build: 1.2.1
certifi: 2024.8.30
cftime: 1.6.4.post1
charset-normalizer: 3.4.0
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.16.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.58.8
ChimeraX-AtomicLibrary: 14.1.11
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.4.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.4
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.3
ChimeraX-Clipper: 0.24.0
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.6
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.9
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.4
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.6
ChimeraX-DistMonitor: 1.4.2
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: 1.4.1
ChimeraX-Hbonds: 2.5
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.3
ChimeraX-ISOLDE: 1.9
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.2.1
ChimeraX-Label: 1.1.14
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.3
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: 2.1.6
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.2
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.2
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.18
ChimeraX-ModelPanel: 1.5
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-MutationScores: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.14
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.6
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.2
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.1
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-Segmentations: 3.5.6
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.14
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.0
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.18.1
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.2.1
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.5
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.3
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.41
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.1
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.4
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: 1.1.4
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.2.2
comtypes: 1.4.5
contourpy: 1.3.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.9
decorator: 5.1.1
docutils: 0.21.2
executing: 2.1.0
filelock: 3.15.4
fonttools: 4.55.3
funcparserlib: 2.0.0a0
glfw: 2.8.0
grako: 3.16.5
h11: 0.14.0
h5py: 3.12.1
html2text: 2024.2.26
httpcore: 1.0.7
httpx: 0.28.1
idna: 3.10
ihm: 1.3
imagecodecs: 2024.6.1
imagesize: 1.4.1
importlib_metadata: 8.0.0
importlib_resources: 6.4.0
inflect: 7.3.1
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.5
jaraco.context: 5.3.0
jaraco.functools: 4.0.1
jaraco.text: 3.12.1
jedi: 0.19.1
Jinja2: 3.1.4
jupyter_client: 8.6.2
jupyter_core: 5.7.2
jupyterlab_widgets: 3.0.13
kiwisolver: 1.4.7
line_profiler: 4.1.3
lxml: 5.2.2
lz4: 4.3.3
MarkupSafe: 3.0.2
matplotlib: 3.9.2
matplotlib-inline: 0.1.7
more-itertools: 10.3.0
msgpack: 1.0.8
ndindex: 1.9.2
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.2
numpy: 1.26.4
openvr: 1.26.701
ordered-set: 4.1.0
packaging: 23.2
packaging: 24.1
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pillow: 10.4.0
pip: 24.2
pkginfo: 1.11.1
platformdirs: 4.3.6
platformdirs: 4.2.2
prompt_toolkit: 3.0.48
psutil: 6.0.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.31
Pygments: 2.18.0
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.2.0
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.7.1
PyQt6-Qt6: 6.7.3
PyQt6-WebEngine-commercial: 6.7.0
PyQt6-WebEngine-Qt6: 6.7.3
PyQt6-WebEngineSubwheel-Qt6: 6.7.3
PyQt6_sip: 13.8.0
python-dateutil: 2.9.0.post0
pytz: 2024.2
pywin32: 306
pyzmq: 26.2.0
qtconsole: 5.5.2
QtPy: 2.4.2
qtshim: 1.0
RandomWords: 0.4.0
requests: 2.32.3
scipy: 1.14.0
setuptools: 72.1.0
sfftk-rw: 0.8.1
six: 1.16.0
sniffio: 1.3.1
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.6
Sphinx: 8.0.2
sphinx-autodoc-typehints: 2.2.3
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
stack-data: 0.6.3
superqt: 0.6.3
tables: 3.10.1
tcia_utils: 1.5.1
tifffile: 2024.7.24
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.4.2
traitlets: 5.14.3
typeguard: 4.3.0
typing_extensions: 4.12.2
typing_extensions: 4.12.2
tzdata: 2024.2
urllib3: 2.2.3
wcwidth: 0.2.13
webcolors: 24.6.0
wheel: 0.43.0
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.13
WMI: 1.5.1
zipp: 3.19.2
Change History (1)
comment:1 by , 5 months ago
| Component: | Unassigned → Third Party |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → isolde sim start sel: OpenMMException: There is no registered Platform called "HIP" |
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Reported by Krish