Opened 4 years ago
Closed 4 years ago
#6345 closed defect (fixed)
BLAST search takes 60 seconds in daily build, 7 seconds in ChimeraX 1.3
| Reported by: | Owned by: | Zach Pearson | |
|---|---|---|---|
| Priority: | normal | Milestone: | 1.4 |
| Component: | Sequence | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-12.2.1-arm64-arm-64bit
ChimeraX Version: 1.4.dev202203071951 (2022-03-07 19:51:09 UTC)
Description
Blast Protein very slow compared to ChimeraX 1.3.
Blast Protein now takes 60 seconds to search the PDB for a sequence in this daily build. In ChimeraX 1.3 it takes 7 seconds. In fact every blast search takes exactly 60 seconds suggesting it is only checking for results after 60 seconds. It should return as fast as possible. Checking interval should be perhaps around 1 second.
Same behavior for alphafold database search.
Log:
UCSF ChimeraX version: 1.4.dev202203071951 (2022-03-07)
© 2016-2022 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open 7pua format mmcif fromDatabase pdb
Summary of feedback from opening 7pua fetched from pdb
---
warnings | Unknown polymer entity '88' near line 240142
Missing or incomplete entity_poly_seq table. Inferred polymer connectivity.
7pua title:
Middle assembly intermediate of the Trypanosoma brucei mitoribosomal small
subunit [more info...]
Chain information for 7pua #1
---
Chain | Description | UniProt
CA | 9S rRNA |
CB | 9S rRNA |
CC | uS3m |
CE | Ribosomal_S5_C domain-containing protein | D0A335_TRYB9
CF | bS6m | Q38BW5_TRYB2
CH | 30S ribosomal protein S8, putative | C9ZZU9_TRYB9
CI | uS9m | Q57W62_TRYB2
CJ | LysM domain-containing protein | C9ZPU0_TRYB9
CK | uS11m | Q389T7_TRYB2
CL | uS12m |
CN | uS14m | Q580I0_TRYB2
CO | uS15m | Q4GZ99_TRYB2
CP | bS16m | Q384N9_TRYB2
CQ | 30S Ribosomal protein S17, putative | C9ZYU9_TRYB9
CR | bS18m | D0A3A4_TRYB9
CS | uS19m | A0A3L6L621_9TRYP
CU | bS21m | Q580M9_TRYB2
Ca | mS22 | Q38DR3_TRYB2
Cb | mS23 | C9ZNU0_TRYB9
Cd | mS26 | Q38DK6_TRYB2
Cg | mS29 | Q585C2_TRYB2
Ci | mS33 | Q57WW0_TRYB2
Cj | mS34 | Q57UK0_TRYB2
Ck | mS35 | Q387C7_TRYB2
Cm | mS37 | Q38C96_TRYB2
Cn | mS38 | Q57VQ9_TRYB2
Cp | Protein FYV4, mitochondrial | Q389L3_TRYB2
DB | mS49 | C9ZJE4_TRYB9
DC | mS50 | A0A3L6L3Q2_9TRYP
DD | mS51 | D0A752_TRYB9
DE | mS52 | Q386Q7_TRYB2
DF | mS53 | C9ZXX4_TRYB9
DG | mS54 | C9ZNY4_TRYB9
DH | mS55 | A0A3L6LGC8_9TRYP
DI | mS56 | A0A3L6L6C6_9TRYP
DJ | mS57 | Q584U8_TRYB2
DK | mS58 | A0A3L6L3U6_9TRYP
DL | mS59 | D0A232_TRYB9
DO | mS62 | Q383D1_TRYB2
DP | mS63 | C9ZXR0_TRYB9
DR | mS65 | C9ZPP1_TRYB9
DT | Rhodanese domain-containing protein | Q586G5_TRYB2
DU | Ubiquitin-like domain-containing protein | C9ZKC1_TRYB9
DV | mS69 | Q57UZ6_TRYB2
DW | mS70 | D0A8P6_TRYB9
DX | mS71 | Q383G5_TRYB2
DY | mS72 | Q57YD4_TRYB2
DZ | mS73 | Q587C4_TRYB2
Da | mS74 | A0A3L6KY67_9TRYP
F2 | PPR_long domain-containing protein | C9ZIL7_TRYB9
F3 | mt-SAF3 | Q38E61_TRYB2
F5 | mt-SAF5 | D0AAF7_TRYB9
F6 | DUF4460 domain-containing protein | Q38FQ8_TRYB2
F7 | mt-SAF7 | Q57UW6_TRYB2
F9 | mt-SAF9 | C9ZSL5_TRYB9
FM FN | mt-SAF21 | C9ZJW2_TRYB9
FO | mt-SAF22 | Q389F9_TRYB2
FP | mt-SAF23 | D0A963_TRYB9
FW | LMWPc domain-containing protein | Q38FI3_TRYB2
FX | mt-SAF27 | Q57YK5_TRYB2
FZ | mt-SAF29 | A0A3L6KWY8_9TRYP
Fb | mt-SAF31 | Q581U4_TRYB2
Fc | Acyl carrier protein | Q57WW9_TRYB2
Fd | DUF4379 domain-containing protein | Q581T4_TRYB2
Ff | DNA photolyase, putative | D0A9A9_TRYB9
Fg | Acyl transferase-like protein, putative | C9ZYZ4_TRYB9
Fh | mt-SAF37 | Q38A63_TRYB2
Fi | mt-SAF38 | C9ZNX5_TRYB9
IA | Translation initiation factor IF-2, putative | C9ZSN7_TRYB9
IB | mt-SAF39 | D0A0V4_TRYB9
U8 | Unk8 |
UC | UnkC |
UD | UnkD |
UF | UnkF |
UG | UnkG |
UI | UnkI |
UK | UnkK |
UM UN UQ | Unk |
UP | UnkP |
Ua | Unka |
Ug | Unkg |
Non-standard residues in 7pua #1
---
ATP — adenosine-5'-triphosphate
FDA — dihydroflavine-adenine dinucleotide
MG — magnesium ion
PM8 —
S-(2-{[N-(2-hydroxy-4-{[hydroxy(oxido)phosphino]oxy}-3,3-dimethylbutanoyl)-β-alanyl]amino}ethyl)
decanethioate
PO4 — phosphate ion
ZN — zinc ion
> ui tool show "Blast Protein"
> blastprotein /DX database pdb cutoff 1e-3 matrix BLOSUM62 maxSeqs 100 name
> bp1
Webservices job id:
8MRYSP6W6LPC3GNGA9LNPOSKP21COW3F8XSH9H461WJCXKIHB75BH3ZB2NEJDSKE
BlastProtein finished.
Parsing BLAST results.
> help help:contact.html
OpenGL version: 4.1 Metal - 76.3
OpenGL renderer: Apple M1 Max
OpenGL vendor: Apple
Locale: UTF-8
Qt version: PyQt6 6.2.2, Qt 6.2.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro18,2
Chip: Apple M1 Max
Total Number of Cores: 10 (8 performance and 2 efficiency)
Memory: 32 GB
System Firmware Version: 7429.81.3
OS Loader Version: 7429.81.3
Software:
System Software Overview:
System Version: macOS 12.2.1 (21D62)
Kernel Version: Darwin 21.3.0
Time since boot: 2 days 4:23
Graphics/Displays:
Apple M1 Max:
Chipset Model: Apple M1 Max
Type: GPU
Bus: Built-In
Total Number of Cores: 32
Vendor: Apple (0x106b)
Metal Family: Supported, Metal GPUFamily Apple 7
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3456 x 2234 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: No
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
charset-normalizer: 2.0.12
ChimeraX-AddCharge: 1.2.3
ChimeraX-AddH: 2.1.11
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2.1
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: 6.1.1
ChimeraX-AtomSearch: 2.0.1
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: 2.0.1
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.4.dev202203071951
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-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: 1.5.2
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: 2.4.7
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: 1.8
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: 1.16.2
ChimeraX-uniprot: 2.2
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.1.2
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
html2text: 2020.1.16
idna: 3.3
ihm: 0.26
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: 2.1.0
matplotlib: 3.5.1
matplotlib-inline: 0.1.3
msgpack: 1.0.3
nest-asyncio: 1.5.4
networkx: 2.6.3
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
PyQt6: 6.2.2
PyQt6-Qt6: 6.2.3
PyQt6-sip: 13.2.0
PyQt6-WebEngine: 6.2.1
PyQt6-WebEngine-Qt6: 6.2.3
python-dateutil: 2.8.2
pytz: 2021.3
pyzmq: 22.3.0
qtconsole: 5.2.2
QtPy: 2.0.1
requests: 2.27.1
scipy: 1.7.3
setuptools: 59.8.0
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
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 (3)
comment:1 by , 4 years ago
| Component: | Unassigned → Sequence |
|---|---|
| Milestone: | → 1.4 |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → BLAST search takes 60 seconds in daily build, 7 seconds in ChimeraX 1.3 |
comment:2 by , 4 years ago
comment:3 by , 4 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
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I was conservative with request timing when I built the new backend since I didn't know what the throughput of our server would be, but if we can handle more requests for individual jobs, then let's lower the time. I convert the numbers we get back from the backend representing time intervals from minutes to seconds, but I can stop converting them to make it faster -- so that instead of 1, 2, ..., 10 minutes it's 1, 2, ..., 10 seconds.
Change made in this commit.