Opened 6 months ago
Last modified 6 months ago
#17603 closed enhancement
ChimeraX bug report submission — at Initial Version
| Reported by: | Owned by: | ||
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Comparison | Version: | |
| Keywords: | Cc: | Elaine Meng | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-15.4.1-arm64-arm-64bit
ChimeraX Version: 1.11.dev202505062043 (2025-05-06 20:43:22 UTC)
Description
Klim Verba wants to open the similar structures for a specific cluster.
Log:
UCSF ChimeraX version: 1.11.dev202505062043 (2025-05-06)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open /Users/goddard/Downloads/ChimeraX/Foldseek/8xps_foldseek_pdb.sms format
> sms
Summary of feedback from opening
/Users/goddard/Downloads/ChimeraX/Foldseek/8xps_foldseek_pdb.sms
---
notes | > open /Users/goddard/Downloads/ChimeraX/PDB/8xps.cif8xps.cif title:
Structure of Nipah virus Bangladesh string G protein ectodomain monomer bound
to single-domain antibody n425 at 3.22 Angstroms overall resolution [more
info...]
| Chain information for 8xps.cif #1
---
Chain
| Description
A
| Nipah virus Bangladesh string G protein
B
| single-domain antibody n425
Non-standard residues in 8xps.cif #1
---
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)
MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose)
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)
Found 194 similar structures to 8xps.cif #1/A in pdb database using foldseek,
name fs1
Read 194 similar structures to 8xps.cif #1/A in pdb database using foldseek,
name fs1
> similarstructures cluster /A:579,220,506,360,348 clusterDistance 1.5
Clustered 148 of 194 hits that have the specified 5 residues into 6 groups
Selected rows for 19 hits 7txz_B, 3d12_A, 7txz_A, 2vsm_A, 6cmi_B, 7ty0_C,
2vwd_A, 7ty0_D, 6pdl_E, 2vwd_B, 6vy5_A, 7syz_A, 7syy_A, 6vy6_A, 6vy4_A,
2vsk_C, 6thb_A, 7zm6_A, 7zm5_B
Selected rows for 14 hits 4gjt_A, 3alz_A, 3alx_A, 3alx_D, 2zb6_A, 3alx_B,
7zny_A, 3alx_C, 3inb_B, 2zb5_A, 2rkc_A, 3inb_A, 7y60_L, 7y5l_E
> open 4gjt
Summary of feedback from opening 4gjt fetched from pdb
---
note | Fetching compressed mmCIF 4gjt from http://files.rcsb.org/download/4gjt.cif
4gjt title:
complex structure of nectin-4 bound to MV-H [more info...]
Chain information for 4gjt #2
---
Chain | Description | UniProt
A | Hemagglutinin glycoprotein | HEMA_MEASC 156-617
B C | Poliovirus receptor-related protein 4 | PVRL4_HUMAN 1-115
Non-standard residues in 4gjt #2
---
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)
4gjt mmCIF Assemblies
---
1| author_and_software_defined_assembly
2| author_and_software_defined_assembly
Deleted 2 extra chains, 1 C-terminal residues, 11 N-terminal residues.
Alignment of 4gjt chain A to query has RMSD 1.36 using 88 of 375 paired
residues within cutoff distance 2.0
> open 3alz
Summary of feedback from opening 3alz fetched from pdb
---
note | Fetching compressed mmCIF 3alz from http://files.rcsb.org/download/3alz.cif
3alz title:
Crystal structure of the measles virus hemagglutinin bound to its cellular
receptor SLAM (Form I) [more info...]
Chain information for 3alz #3
---
Chain | Description | UniProt
A | Hemagglutinin | E2RZS2_9PARA 149-617
B | CDw150 | Q9GJT3_SAGOE 1-140
Non-standard residues in 3alz #3
---
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)
3alz mmCIF Assemblies
---
1| author_defined_assembly
2| software_defined_assembly
Deleted 1 extra chains, 3 C-terminal residues, 1 N-terminal residues.
Alignment of 3alz chain A to query has RMSD 1.37 using 90 of 370 paired
residues within cutoff distance 2.0
> open 3alx
Summary of feedback from opening 3alx fetched from pdb
---
note | Fetching compressed mmCIF 3alx from http://files.rcsb.org/download/3alx.cif
3alx title:
Crystal structure of the measles virus hemagglutinin bound to its cellular
receptor SLAM (MV-H(L482R)-SLAM(N102H/R108Y) fusion) [more info...]
Chain information for 3alx #4
---
Chain | Description | UniProt
A B C D | Hemagglutinin,LINKER,CDw150 | E2RZS2_9MONO 184-607, Q9GJT3_SAGOE 30-140
Non-standard residues in 3alx #4
---
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)
Deleted 3 extra chains, 111 C-terminal residues, 6 N-terminal residues.
Alignment of 3alx chain A to query has RMSD 1.32 using 93 of 361 paired
residues within cutoff distance 2.0
> open 3alx
3alx title:
Crystal structure of the measles virus hemagglutinin bound to its cellular
receptor SLAM (MV-H(L482R)-SLAM(N102H/R108Y) fusion) [more info...]
Chain information for 3alx #5
---
Chain | Description | UniProt
A B C D | Hemagglutinin,LINKER,CDw150 | E2RZS2_9MONO 184-607, Q9GJT3_SAGOE 30-140
Non-standard residues in 3alx #5
---
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)
Deleted 3 extra chains, 107 C-terminal residues, 3 N-terminal residues.
Alignment of 3alx chain D to query has RMSD 1.32 using 103 of 362 paired
residues within cutoff distance 2.0
> open 2zb6
Summary of feedback from opening 2zb6 fetched from pdb
---
note | Fetching compressed mmCIF 2zb6 from http://files.rcsb.org/download/2zb6.cif
2zb6 title:
Crystal structure of the measles virus hemagglutinin (oligo-sugar type) [more
info...]
Chain information for 2zb6 #6
---
Chain | Description | UniProt
A | Hemagglutinin protein | Q83625_9PARA 149-617
Non-standard residues in 2zb6 #6
---
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)
2zb6 mmCIF Assemblies
---
1| author_and_software_defined_assembly
Deleted 0 extra chains, 8 N-terminal residues.
Alignment of 2zb6 chain A to query has RMSD 1.38 using 91 of 383 paired
residues within cutoff distance 2.0
> open 3alx
3alx title:
Crystal structure of the measles virus hemagglutinin bound to its cellular
receptor SLAM (MV-H(L482R)-SLAM(N102H/R108Y) fusion) [more info...]
Chain information for 3alx #7
---
Chain | Description | UniProt
A B C D | Hemagglutinin,LINKER,CDw150 | E2RZS2_9MONO 184-607, Q9GJT3_SAGOE 30-140
Non-standard residues in 3alx #7
---
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)
Deleted 3 extra chains, 112 C-terminal residues.
Alignment of 3alx chain B to query has RMSD 1.31 using 85 of 372 paired
residues within cutoff distance 2.0
> open 7zny
Summary of feedback from opening 7zny fetched from pdb
---
note | Fetching compressed mmCIF 7zny from http://files.rcsb.org/download/7zny.cif
7zny title:
Cryo-EM structure of the canine distemper virus tetrameric attachment
glycoprotein [more info...]
Chain information for 7zny #8
---
Chain | Description | UniProt
A B C D | Hemagglutinin glycoprotein | Q9QPQ8_9MONO 1-607
Deleted 3 extra chains, 3 C-terminal residues, 52 N-terminal residues.
Alignment of 7zny chain A to query has RMSD 1.22 using 94 of 377 paired
residues within cutoff distance 2.0
> open 3alx
3alx title:
Crystal structure of the measles virus hemagglutinin bound to its cellular
receptor SLAM (MV-H(L482R)-SLAM(N102H/R108Y) fusion) [more info...]
Chain information for 3alx #9
---
Chain | Description | UniProt
A B C D | Hemagglutinin,LINKER,CDw150 | E2RZS2_9MONO 184-607, Q9GJT3_SAGOE 30-140
Non-standard residues in 3alx #9
---
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)
Deleted 3 extra chains, 108 C-terminal residues, 6 N-terminal residues.
Alignment of 3alx chain C to query has RMSD 1.32 using 98 of 360 paired
residues within cutoff distance 2.0
> open 3inb
Summary of feedback from opening 3inb fetched from pdb
---
note | Fetching compressed mmCIF 3inb from http://files.rcsb.org/download/3inb.cif
3inb title:
Structure of the measles virus hemagglutinin bound to the CD46 receptor [more
info...]
Chain information for 3inb #10
---
Chain | Description | UniProt
A B | Hemagglutinin glycoprotein | HEMA_MEASE 179-617
C D | Membrane cofactor protein | MCP_HUMAN 1-126
Non-standard residues in 3inb #10
---
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)
SO4 — sulfate ion
8 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
Deleted 3 extra chains, 1 C-terminal residues, 1 N-terminal residues.
Alignment of 3inb chain B to query has RMSD 1.29 using 90 of 354 paired
residues within cutoff distance 2.0
> open 2zb5
Summary of feedback from opening 2zb5 fetched from pdb
---
note | Fetching compressed mmCIF 2zb5 from http://files.rcsb.org/download/2zb5.cif
2zb5 title:
Crystal structure of the measles virus hemagglutinin (complex-sugar-type)
[more info...]
Chain information for 2zb5 #11
---
Chain | Description | UniProt
A | Hemagglutinin protein | Q83625_9PARA 149-617
Non-standard residues in 2zb5 #11
---
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)
2zb5 mmCIF Assemblies
---
1| author_and_software_defined_assembly
Deleted 17 N-terminal residues.
Alignment of 2zb5 chain A to query has RMSD 1.35 using 88 of 375 paired
residues within cutoff distance 2.0
> open 2rkc
Summary of feedback from opening 2rkc fetched from pdb
---
note | Fetching compressed mmCIF 2rkc from http://files.rcsb.org/download/2rkc.cif
2rkc title:
Crystal structure of the measles virus hemagglutinin [more info...]
Chain information for 2rkc #12
---
Chain | Description | UniProt
A | Hemagglutinin | Q83531_9PARA 156-617
Non-standard residues in 2rkc #12
---
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)
Deleted 3 C-terminal residues.
Alignment of 2rkc chain A to query has RMSD 1.28 using 85 of 364 paired
residues within cutoff distance 2.0
> open 3inb
3inb title:
Structure of the measles virus hemagglutinin bound to the CD46 receptor [more
info...]
Chain information for 3inb #13
---
Chain | Description | UniProt
A B | Hemagglutinin glycoprotein | HEMA_MEASE 179-617
C D | Membrane cofactor protein | MCP_HUMAN 1-126
Non-standard residues in 3inb #13
---
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)
SO4 — sulfate ion
8 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
Deleted 3 extra chains, 1 C-terminal residues, 2 N-terminal residues.
Alignment of 3inb chain A to query has RMSD 1.29 using 86 of 351 paired
residues within cutoff distance 2.0
> open 7y60
7y60 title:
Cryo-EM structure of human CAF1LC bound right-handed Di-tetrasome [more
info...]
Chain information for 7y60 #14
---
Chain | Description | UniProt
A C E G | Histone H3.1 | H31_HUMAN 0-135
B D F H | Histone H4 | H4_HUMAN 0-102
I | Widom 601 DNA (147-MER) |
J | Widom 601 DNA (147-MER) |
K | Chromatin assembly factor 1 subunit A | CAF1A_HUMAN 442-853
L | Chromatin assembly factor 1 subunit B | CAF1B_HUMAN 1-419
Deleted 11 extra chains, 59 C-terminal residues, 1 N-terminal residues.
Alignment of 7y60 chain L to query has RMSD 1.26 using 20 of 268 paired
residues within cutoff distance 2.0
> open 7y5l
7y5l title:
Crystal structure of human CAF-1 core complex in spacegroup C2 [more info...]
Chain information for 7y5l #15
---
Chain | Description | UniProt
A D | Chromatin assembly factor 1 subunit A | CAF1A_HUMAN 442-714
B E | Chromatin assembly factor 1 subunit B | CAF1B_HUMAN 1-419
C F | Histone-binding protein RBBP4 | RBBP4_HUMAN 1-425
Non-standard residues in 7y5l #15
---
GOL — glycerol (glycerin; propane-1,2,3-triol)
7y5l mmCIF Assemblies
---
1| author_defined_assembly
2| author_defined_assembly
Deleted 5 extra chains, 69 C-terminal residues, 1 N-terminal residues.
Alignment of 7y5l chain E to query has RMSD 1.45 using 23 of 276 paired
residues within cutoff distance 2.0
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M2 Ultra
OpenGL vendor: Apple
Python: 3.11.4
Locale: en_US.UTF-8
Qt version: PyQt6 6.8.1, Qt 6.8.2
Qt runtime version: 6.8.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: Mac Studio
Model Identifier: Mac14,14
Model Number: Z1800003VLL/A
Chip: Apple M2 Ultra
Total Number of Cores: 24 (16 performance and 8 efficiency)
Memory: 64 GB
System Firmware Version: 11881.101.1
OS Loader Version: 11881.101.1
Software:
System Software Overview:
System Version: macOS 15.4.1 (24E263)
Kernel Version: Darwin 24.4.0
Time since boot: 10 days, 11 hours, 44 minutes
Graphics/Displays:
Apple M2 Ultra:
Chipset Model: Apple M2 Ultra
Type: GPU
Bus: Built-In
Total Number of Cores: 60
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
PHL 278B1:
Resolution: 3840 x 2160 (2160p/4K UHD 1 - Ultra High Definition)
UI Looks like: 1920 x 1080 @ 60.00Hz
Main Display: Yes
Mirror: Off
Online: Yes
Rotation: Supported
Installed Packages:
alabaster: 1.0.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.0
auditwheel: 6.3.0
babel: 2.17.0
beautifulsoup4: 4.13.3
blockdiag: 3.0.0
blosc2: 3.3.2
build: 1.2.2.post1
certifi: 2023.11.17
cftime: 1.6.4.post1
charset-normalizer: 3.4.2
ChimeraX-AddCharge: 1.5.18
ChimeraX-AddH: 2.2.7
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.20.1
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Aniso: 1.1.3
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.60.5
ChimeraX-AtomicLibrary: 14.1.17
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.0
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.5.1
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: 2.0.2
ChimeraX-Clashes: 2.3
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.2.6
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.11.dev202505062043
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.1.4
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: 2.5.1
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-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.6.1
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: 2.2.1
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.10.1
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.19
ChimeraX-ModelPanel: 1.5.1
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: 1.14.1
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.10
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.4
ChimeraX-PDBMatrices: 1.0
ChimeraX-PhenixUI: 1.3.7
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.3
ChimeraX-ProfileGrids: 1.1.2
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.6.3
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: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.7
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.17.1
ChimeraX-Shape: 1.1
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: 1.19.1
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: 2.5.2
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: 1.45.1
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
contourpy: 1.3.2
coverage: 7.8.0
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.0.12
debugpy: 1.8.14
decorator: 5.2.1
docutils: 0.21.2
executing: 2.2.0
filelock: 3.18.0
fonttools: 4.57.0
funcparserlib: 2.0.0a0
glfw: 2.9.0
grako: 3.16.5
h5py: 3.13.0
html2text: 2024.2.26
idna: 3.10
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 1.4.1
iniconfig: 2.1.0
ipykernel: 6.29.5
ipython: 8.26.0
ipywidgets: 8.1.7
jedi: 0.19.1
Jinja2: 3.1.6
joblib: 1.5.0
jupyter_client: 8.6.3
jupyter_core: 5.7.2
jupyterlab_widgets: 3.0.15
kiwisolver: 1.4.8
line_profiler: 4.2.0
llvmlite: 0.44.0
lxml: 5.3.1
lz4: 4.4.4
MarkupSafe: 3.0.2
matplotlib: 3.10.1
matplotlib-inline: 0.1.7
msgpack: 1.1.0
ndindex: 1.9.2
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numba: 0.61.2
numexpr: 2.10.2
numpy: 1.26.4
OpenMM: 8.2.0
openvr: 1.26.701
packaging: 24.2
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 10.4.0
pip: 25.0.1
pkginfo: 1.11.1
platformdirs: 4.3.7
pluggy: 1.5.0
prompt_toolkit: 3.0.51
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pyelftools: 0.32
Pygments: 2.18.0
pynmrstar: 3.3.5
pynndescent: 0.5.13
pynrrd: 1.0.0
PyOpenGL: 3.1.9
PyOpenGL-accelerate: 3.1.9
pyopenxr: 1.1.4501
pyparsing: 3.2.3
pyproject_hooks: 1.2.0
PyQt6: 6.8.1
PyQt6-Qt6: 6.8.2
PyQt6-WebEngine: 6.8.0
PyQt6-WebEngine-Qt6: 6.8.2
PyQt6_sip: 13.10.0
pytest: 8.3.5
pytest-cov: 6.1.1
python-dateutil: 2.9.0.post0
pytz: 2025.2
pyzmq: 26.4.0
qtconsole: 5.5.2
QtPy: 2.4.3
qtshim: 1.1
RandomWords: 0.4.0
requests: 2.32.3
roman-numerals-py: 3.1.0
scikit-learn: 1.6.1
scipy: 1.14.0
setuptools: 78.1.0
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.7
Sphinx: 8.2.3
sphinx-autodoc-typehints: 3.1.0
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: 0.7.1
tables: 3.10.2
tcia_utils: 1.5.1
threadpoolctl: 3.6.0
tifffile: 2025.3.13
tinyarray: 1.2.4
tornado: 6.4.2
tqdm: 4.67.1
traitlets: 5.14.3
typing_extensions: 4.13.2
tzdata: 2025.2
umap-learn: 0.5.7
urllib3: 2.4.0
wcwidth: 0.2.13
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
widgetsnbextension: 4.0.14
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