Opened 5 years ago
Closed 5 years ago
#3567 closed defect (duplicate)
scipy can't import _uarray
Reported by: | Owned by: | Greg Couch | |
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Priority: | normal | Milestone: | |
Component: | Depiction | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.19041 ChimeraX Version: 1.0 (2020-05-09) Description (Describe the actions that caused this problem to occur here) Log: UCSF ChimeraX version: 1.0rc202005091901 (2020-05-09) © 2016-2020 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open C:/Users/jites/.mgltools/PyRx/Macromolecules/5IKR/5IKR.pdbqt Summary of feedback from opening C:/Users/jites/.mgltools/PyRx/Macromolecules/5IKR/5IKR.pdbqt --- note | | Chain information for 5IKR.pdbqt #1 --- Chain | Description A | No description available Opened 5IKR.pdbqt containing 1 structures (5430 atoms, 5562 bonds) > toolshed show ViewDockX No suitable models found for ViewDockX > open > C:/Users/jites/.mgltools/PyRx/Macromolecules/5IKR/originalAll3dClean_000005_out.pdbqt Opened originalAll3dClean_000005_out.pdbqt containing 9 structures (216 atoms, 234 bonds) > toolshed show ViewDockX > hide #2.2-9 models > hbonds #2.1-9 restrict #1 reveal true interSubmodel true 6 hydrogen bonds found > clashes #2.1-9 restrict #1 reveal true interSubmodel true 1 clashes > hide #2.1 models > show #2.2 models > hide #2.2 models > show #2.3 models > hide #2.3 models > show #2.4 models > hide #2.4 models > show #2.1 models > close #2 > open > C:/Users/jites/.mgltools/PyRx/Macromolecules/5IKR/originalAll3dClean_000045_out.pdbqt Opened originalAll3dClean_000045_out.pdbqt containing 9 structures (225 atoms, 243 bonds) > toolshed show ViewDockX > hide #2.2-9 models > hbonds #2.1-9 restrict #1 reveal true interSubmodel true 4 hydrogen bonds found > clashes #2.1-9 restrict #1 reveal true interSubmodel true 1 clashes > select up 2 atoms, 1 bond, 1 model selected > select up 25 atoms, 27 bonds, 1 model selected > select #1/A:134 14 atoms, 14 bonds, 1 model selected > select up 16 atoms, 15 bonds, 2 models selected > select up 39 atoms, 41 bonds, 2 models selected > select up 168 atoms, 174 bonds, 2 models selected > select up 5455 atoms, 5589 bonds, 2 models selected > toolshed show Contacts > contacts sel restrict both intraModel false intraMol false 44 contacts > contacts sel restrict both intraModel false intraMol false 44 contacts > open 5IKR Summary of feedback from opening 5IKR fetched from pdb --- warning | Unable to infer polymer connectivity due to unspecified label_seq_id for residue "NAG" near line 19167 notes | Fetching compressed mmCIF 5ikr from http://files.rcsb.org/download/5ikr.cif Fetching CCD MAN from http://ligand-expo.rcsb.org/reports/M/MAN/MAN.cif Fetching CCD ID8 from http://ligand-expo.rcsb.org/reports/I/ID8/ID8.cif Fetching CCD COH from http://ligand-expo.rcsb.org/reports/C/COH/COH.cif Fetching CCD BOG from http://ligand-expo.rcsb.org/reports/B/BOG/BOG.cif Fetching CCD NH4 from http://ligand-expo.rcsb.org/reports/N/NH4/NH4.cif 5ikr title: The Structure of Mefenamic Acid Bound to Human Cyclooxygenase-2 [more info...] Chain information for 5ikr #6 --- Chain | Description A B | Prostaglandin G/H synthase 2 Non-standard residues in 5ikr #6 --- BOG — octyl beta-D-glucopyranoside COH — protoporphyrin IX containing Co ID8 — 2-[(2,3-dimethylphenyl)amino]benzoic acid (mefenamic acid) MAN — alpha-D-mannopyranose NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose NH4 — ammonium ion > matchmaker #6 to #1 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 5IKR.pdbqt, chain A (#1) with 5ikr, chain A (#6), sequence alignment score = 2923.4 RMSD between 551 pruned atom pairs is 0.000 angstroms; (across all 551 pairs: 0.000) > matchmaker #6 to #1 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 5IKR.pdbqt, chain A (#1) with 5ikr, chain A (#6), sequence alignment score = 2923.4 RMSD between 551 pruned atom pairs is 0.000 angstroms; (across all 551 pairs: 0.000) > select ::name="ID8" 64 atoms, 66 bonds, 1 model selected > hide #2.1 models > show #2.2 models > hbonds #2.1-9 restrict #1#!6 reveal true interSubmodel true 11 hydrogen bonds found > close #6 > hbonds #2.1-9 restrict #1 reveal true interSubmodel true 4 hydrogen bonds found > hide #2.2 models > show #2.1 models > hide #2.1 models > show #2.2 models > hide #2.2 models > show #2.3 models > hide #2.3 models > show #2.2 models > hide #2.2 models > show #2.1 models > select protein 5430 atoms, 5562 bonds, 1 model selected > show sel surfaces > mlp sel Map values for surface "5IKR.pdbqt_A SES surface": minimum -30.14, mean -4.174, maximum 24.05 > color bfactor sel 5430 atoms, 551 residues, 1 surfaces, atom bfactor range 0 to 121 > color sel byhetero > color bfactor sel 5430 atoms, 551 residues, 1 surfaces, atom bfactor range 0 to 121 > color sel bychain > rainbow sel > mlp sel Map values for surface "5IKR.pdbqt_A SES surface": minimum -30.14, mean -4.174, maximum 24.05 > preset "overall look" interactive Preset expands to these ChimeraX commands: ~set bg graphics silhouettes f > preset "overall look" publication Preset expands to these ChimeraX commands: set bg white graphics silhouettes t > select clear > select up 2 atoms, 1 bond, 1 model selected > select up 25 atoms, 27 bonds, 1 model selected > style sel sphere Changed 25 atom styles > style sel ball Changed 25 atom styles > color sel byhetero > rainbow sel > color bfactor sel 25 atoms, 1 residues, atom bfactor range 0 to 0 > mlp sel mlp: no amino acids specified > color sel byhetero > color sel bychain > color sel byhetero > color sel bychain > color sel bychain > rainbow sel > color bfactor sel 25 atoms, 1 residues, atom bfactor range 0 to 0 > mlp sel mlp: no amino acids specified > color sel bynucleotide > color sel byhetero > color sel bychain > color sel byhetero > interfaces sel & ~solvent 0 buried areas: > select clear > save E:/IBIS/graphics/interaction.jpg width 1340 height 785 supersample 3 > preset "molecular surfaces" "ghostly white" Changed 0 atom styles Preset expands to these ChimeraX commands: style (protein|nucleic|solvent) & @@draw_mode=0 stick surface color white targ s trans 80 > hide #2.1#!1 cartoons > show #2.1#!1 atoms > hide #2.1#!1 atoms > show #2.1#!1 cartoons > view > preset "initial styles" "original look" Preset implemented in Python; no expansion to individual ChimeraX commands available. > preset "molecular surfaces" "ghostly white" Changed 0 atom styles Preset expands to these ChimeraX commands: style (protein|nucleic|solvent) & @@draw_mode=0 stick surface color white targ s trans 80 > preset "initial styles" cartoon Preset implemented in Python; no expansion to individual ChimeraX commands available. > preset cartoons/nucleotides ribbons/slabs Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > preset cartoons/nucleotides licorice/ovals Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect cartoon style protein modeh default arrows f x round width 1 thick 1 cartoon style nucleic x round width 1.6 thick 1.6 nucleotides tube/slab shape ellipsoid > preset cartoons/nucleotides cylinders/stubs Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect cartoon style protein modeh tube rad 2 sides 24 thick 0.6 cartoon style nucleic x round width 1.6 thick 1.6 nucleotides stubs Traceback (most recent call last): File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\core\triggerset.py", line 130, in invoke return self._func(self._name, data) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\structure.py", line 1562, in _update_graphics_if_needed s[i]._update_graphics_if_needed() File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\structure.py", line 300, in _update_graphics_if_needed self._create_ribbon_graphics() File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\structure.py", line 553, in _create_ribbon_graphics ribbons_drawing.compute_ribbons(self) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\ribbon.py", line 586, in compute_ribbons _make_ribbon_graphics(structure, self) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\ribbon.py", line 128, in _make_ribbon_graphics centers = _arc_helix_geometry(coords, xs_mgr, displays, start, end, geometry) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\ribbon.py", line 957, in _arc_helix_geometry hc = HelixCylinder(coords[start:end]) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\sse.py", line 185, in __init__ self._straight_optimize() File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\sse.py", line 398, in _straight_optimize opt = OptLine(self.coords, centroid, axis) File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\chimerax\atomic\sse.py", line 25, in __init__ from scipy.optimize import minimize File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\\__init__.py", line 156, in <module> from . import fft File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\fft\\__init__.py", line 76, in <module> from ._basic import ( File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\fft\\_basic.py", line 1, in <module> from scipy._lib.uarray import generate_multimethod, Dispatchable File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\\_lib\uarray.py", line 27, in <module> from ._uarray import * File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\\_lib\\_uarray\\__init__.py", line 114, in <module> from ._backend import * File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\\_lib\\_uarray\\_backend.py", line 15, in <module> from . import _uarray # type: ignore ImportError: DLL load failed: The specified module could not be found. Error processing trigger "graphics update": ImportError: DLL load failed: The specified module could not be found. File "C:\Program Files\ChimeraX 1.0rc202005091901\bin\lib\site- packages\scipy\\_lib\\_uarray\\_backend.py", line 15, in from . import _uarray # type: ignore See log for complete Python traceback. OpenGL version: 3.3.0 NVIDIA 451.67 OpenGL renderer: GeForce MX130/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation Manufacturer: Acer Model: Aspire A515-51G OS: Microsoft Windows 10 Pro (Build 19041) Memory: 8,459,489,280 MaxProcessMemory: 137,438,953,344 CPU: 4 Intel(R) Core(TM) i5-7200U CPU @ 2.50GHz"
Change History (2)
comment:1 by , 5 years ago
Component: | Unassigned → Depiction |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → scipy can't import _uarray |
comment:2 by , 5 years ago
Resolution: | → duplicate |
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Status: | assigned → closed |
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duplicate of #3214 (but see #3481)