Opened 4 months ago
Closed 4 months ago
#18290 closed defect (duplicate)
XTC file with Unicode path
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | MD/Ensemble Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: Windows-10-10.0.19045
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/CCR4_dio.cxs
Log from Fri Jul 25 10:33:55 2025 Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/CCR4_dio_0ns.pdb
Chain information for CCR4_dio_0ns.pdb #1
---
Chain | Description
? | No description available
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/step7_11-20ns_fit.xtc
Replaced existing frames of CCR4_dio_0ns.pdb #1 with 101 new frames
> select #1:TIP,SOD,CLA,POP
74786 atoms, 57740 bonds, 17046 residues, 1 model selected
> delete sel
> select /?:244
19 atoms, 18 bonds, 1 residue, 1 model selected
> select up
353 atoms, 356 bonds, 20 residues, 1 model selected
> select up
4861 atoms, 4927 bonds, 296 residues, 1 model selected
> hide sel atoms
> color sel cornflower blue
> color sel light sea green
> set bgColor white
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
135 atoms, 143 bonds, 1 residue, 1 model selected
> hbonds sel reveal true
640 hydrogen bonds found in 101 coordsets
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> show sel atoms
> color sel yellow
> color sel byhetero
> select up
12 atoms, 11 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select /?:190
21 atoms, 21 bonds, 1 residue, 1 model selected
> select /?:188@CB
1 atom, 1 residue, 1 model selected
> select /?:200
17 atoms, 16 bonds, 1 residue, 1 model selected
> select up
272 atoms, 276 bonds, 16 residues, 1 model selected
> select down
17 atoms, 16 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
12 atoms, 11 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select /?:190
21 atoms, 21 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
21 atoms, 21 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select /?:188
24 atoms, 23 bonds, 1 residue, 1 model selected
> color sel byhetero
> hbonds sel reveal true
403 hydrogen bonds found in 101 coordsets
> undo
[Repeated 1 time(s)]
> select clear
> hide atoms
> show atoms
> select /?:173
19 atoms, 18 bonds, 1 residue, 1 model selected
> select up
104 atoms, 106 bonds, 6 residues, 1 model selected
> select up
4861 atoms, 4927 bonds, 296 residues, 1 model selected
> hide sel atoms
> select /?:1@C38
1 atom, 1 residue, 1 model selected
> select up
135 atoms, 143 bonds, 1 residue, 1 model selected
> hbonds sel reveal true
640 hydrogen bonds found in 101 coordsets
> select /?:188
24 atoms, 23 bonds, 1 residue, 1 model selected
> color sel byhetero
> select /?:203@CB
1 atom, 1 residue, 1 model selected
> select up
17 atoms, 17 bonds, 1 residue, 1 model selected
> color sel byhetero
> select /?:188
24 atoms, 23 bonds, 1 residue, 1 model selected
> save
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/CCR4_dio_20ns.pdb
> relModel #1
> select clear
> select /?:192
14 atoms, 13 bonds, 1 residue, 1 model selected
> hide sel cartoons
> select /?:193
12 atoms, 11 bonds, 1 residue, 1 model selected
> hide sel cartoons
> show sel cartoons
> select up
272 atoms, 276 bonds, 16 residues, 1 model selected
> show sel cartoons
> select up
4861 atoms, 4927 bonds, 296 residues, 1 model selected
> show sel cartoons
> select clear
> ui tool show "Side View"
> save C:\Users\86155/Desktop\image1.png supersample 3
> save
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/CCR4_dio.cxs
——— End of log from Fri Jul 25 10:33:55 2025 ———
opened ChimeraX session
> hide H
> select /?:1@C41
1 atom, 1 residue, 1 model selected
> select up
135 atoms, 143 bonds, 1 residue, 1 model selected
> undo
[Repeated 3 time(s)]
> hide ~@H & hbonds
> show @H & hbonds
> hide ~(@H & hbonds)
> select /?:117
14 atoms, 13 bonds, 1 residue, 1 model selected
> hide sel atoms
> select /?:188
24 atoms, 23 bonds, 1 residue, 1 model selected
> hide sel atoms
> ui tool show "Side View"
> select /?:203
17 atoms, 17 bonds, 1 residue, 1 model selected
> hide sel atoms
Drag select of 17 atoms, 3 residues, 18 bonds
> hide @H & selected
Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models',
'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword
> hide atoms @H & selected
Expected ',' or a keyword
> hide @H:selected
> select clear
> select /?:1@H12
1 atom, 1 residue, 1 model selected
> select /?:1@H9
1 atom, 1 residue, 1 model selected
> select /?:1@H10
1 atom, 1 residue, 1 model selected
> hide sel atoms
> undo
> select /?:1@H9
1 atom, 1 residue, 1 model selected
> select /?:1@H11
1 atom, 1 residue, 1 model selected
> hide sel atoms
> show sel atoms
> select /?:1@H9
1 atom, 1 residue, 1 model selected
> hide sel atoms
> show sel atoms
> hide sel atoms
> select /?:1@H11
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H10
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H17
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H12
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H18
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H16
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H15
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H14
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H13
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H53
1 atom, 1 residue, 1 model selected
> hide sel atoms
[Repeated 1 time(s)]
> select /?:1@H19
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H54
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H55
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H23
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H24
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H56
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H58
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H22
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H57
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H26
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H25
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H28
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H27
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H30
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H34
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H35
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H20
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H29
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H59
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H60
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H61
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H31
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H33
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H21
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H37
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H36
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H38
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H39
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H41
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H32
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H42
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H67
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H69
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H68
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H63
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H66
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H1
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H40
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H43
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H47
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H4
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H65
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H64
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H62
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H44
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H70
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H71
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H45
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H46
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H48
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H6
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H74
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H73
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H49
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H50
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H51
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H52
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:1@H72
1 atom, 1 residue, 1 model selected
> hide sel atoms
> select /?:196
16 atoms, 15 bonds, 1 residue, 1 model selected
> save C:\Users\86155/Desktop\image3.png supersample 3
> save
> D:/application/autodock/CCI2/pre10ns/gromacs_output/CCR4_DIO_/CCR4_dio.cxs
> close #1
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/step3_input.pdb
Summary of feedback from opening
D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/step3_input.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
83400 messages similar to the above omitted
Chain information for step3_input.pdb #1
---
Chain | Description
? | No description available
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/step5_1-20ns_fit.xtc
Replaced existing frames of step3_input.pdb #1 with 201 new frames
> select #1:TIP,SOD,CLA,POP
172814 atoms, 114990 bonds, 57822 residues, 1 model selected
> delete sel
> select @@serial_number=10524
1 atom, 1 residue, 1 model selected
> select up
80 atoms, 84 bonds, 1 residue, 1 model selected
> hbonds sel reveal true
287 hydrogen bonds found in 201 coordsets
> select add #1
10591 atoms, 10741 bonds, 4 pseudobonds, 644 residues, 3 models selected
> save
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/IL2R_urs_20ns.pdb
> relModel #1
> close #1
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/IL2R_urs_20ns.pdb
Summary of feedback from opening
D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/IL2R_urs_20ns.pdb
---
warnings | Bad residue range for secondary structure: SHEET 16 16 1 TYR 47 THR 51 0
Bad residue range for secondary structure: SHEET 27 27 1 TYR 197 ARG 204 0
Chain information for IL2R_urs_20ns.pdb #1
---
Chain | Description
? | No description available
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS2C/IL2R_urs2C_chimerax.pdb
Chain information for IL2R_urs2C_chimerax.pdb #2
---
Chain | Description
A | No description available
B | No description available
C | No description available
D | No description available
> select add #2
10591 atoms, 10742 bonds, 644 residues, 1 model selected
> color sel bychain
> mmaker #1 to #2
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 IL2R_urs2C_chimerax.pdb, chain B (#2) with IL2R_urs_20ns.pdb, chain
(blank) (#1), sequence alignment score = 980.7
RMSD between 193 pruned atom pairs is 0.940 angstroms; (across all 202 pairs:
1.451)
> select subtract #2
Nothing selected
> hide #2 models
> show #2 models
> close #2
> close
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/IL2R_urs_20ns.pdb
Chain information for IL2R_urs_20ns.pdb #1
---
Chain | Description
A | No description available
B | No description available
C | No description available
D | No description available
> select add #1
10591 atoms, 10743 bonds, 644 residues, 1 model selected
> color sel bychain
> select clear
[Repeated 1 time(s)]
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
14 atoms, 13 bonds, 1 residue, 1 model selected
> select up
344 atoms, 344 bonds, 20 residues, 1 model selected
> select up
2142 atoms, 2159 bonds, 128 residues, 1 model selected
> select up
10591 atoms, 10743 bonds, 644 residues, 1 model selected
> select down
2142 atoms, 2159 bonds, 128 residues, 1 model selected
> select #1/A,B,C,D
10511 atoms, 10659 bonds, 643 residues, 1 model selected
> hide sel atoms
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
80 atoms, 84 bonds, 1 residue, 1 model selected
> color sel cyan
> color sel byhetero
> hbonds sel reveal true
3 hydrogen bonds found
> select /D:22
17 atoms, 16 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select /C:206
14 atoms, 13 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select clear
> select /B:163@HB2
1 atom, 1 residue, 1 model selected
> select up
22 atoms, 21 bonds, 1 residue, 1 model selected
> color sel yellow
> color sel byhetero
> select clear
> save C:\Users\86155/Desktop\image4.png supersample 3
> save
> D:/application/autodock/CCI2/pre10ns/gromacs_output/IL2R_URS1B__/IL2R_urs.cxs
> close #1
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_DIO2BC_______/step3_input.pdb
Summary of feedback from opening
D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_DIO2BC_______/step3_input.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
83564 messages similar to the above omitted
Chain information for step3_input.pdb #1
---
Chain | Description
? | No description available
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_DIO2BC_______/step5_11-20ns_fit.xtc
Traceback (most recent call last):
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\graphics.py", line 54, in event
if self.handle_drag_and_drop(event):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\graphics.py", line 124, in handle_drag_and_drop
mw.dropEvent(event)
File "D:\application\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 697, in dropEvent
_open_dropped_file(self.session, p)
File "D:\application\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 2075, in _open_dropped_file
run(session, 'open %s' % FileNameArg.unparse(path))
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 131, in cmd_open
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 213, in provider_open
models, status = collated_open(session, None, [data], data_format,
_add_models,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 513, in collated_open
return remember_data_format()
^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 484, in remember_data_format
models, status = func(*func_args, **func_kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\\__init__.py", line 115, in open
num_coords = read_coords(session, data, structure_model, md_type,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\read_coords.py", line 32, in read_coords
num_atoms, coords_list = read_xtc_file(file_name)
^^^^^^^^^^^^^^^^^^^^^^^^
ValueError: read_xtc_natoms failure; return code 12
ValueError: read_xtc_natoms failure; return code 12
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\read_coords.py", line 32, in read_coords
num_atoms, coords_list = read_xtc_file(file_name)
^^^^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> close #1
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_GIN2A_________/step3_input.pdb
Summary of feedback from opening
D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_GIN2A_________/step3_input.pdb
---
warnings | Duplicate atom serial number found: 1
Duplicate atom serial number found: 2
Duplicate atom serial number found: 3
Duplicate atom serial number found: 4
Duplicate atom serial number found: 5
83465 messages similar to the above omitted
Chain information for step3_input.pdb #1
---
Chain | Description
? | No description available
> open
> D:/application/autodock/CCI2/pre10ns/gromacs_output/新建文件夹/IL2R_GIN2A_________/step5_11-20ns_fit.xtc
Traceback (most recent call last):
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\graphics.py", line 54, in event
if self.handle_drag_and_drop(event):
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\graphics.py", line 124, in handle_drag_and_drop
mw.dropEvent(event)
File "D:\application\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 697, in dropEvent
_open_dropped_file(self.session, p)
File "D:\application\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 2075, in _open_dropped_file
run(session, 'open %s' % FileNameArg.unparse(path))
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\run.py", line 49, in run
results = command.run(text, log=log, return_json=return_json)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 131, in cmd_open
models = Command(session, registry=registry).run(provider_cmd_text,
log=log)[0]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run
result = ci.function(session, **kw_args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 213, in provider_open
models, status = collated_open(session, None, [data], data_format,
_add_models,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 513, in collated_open
return remember_data_format()
^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\open_command\cmd.py", line 484, in remember_data_format
models, status = func(*func_args, **func_kw)
^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\\__init__.py", line 115, in open
num_coords = read_coords(session, data, structure_model, md_type,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\read_coords.py", line 32, in read_coords
num_atoms, coords_list = read_xtc_file(file_name)
^^^^^^^^^^^^^^^^^^^^^^^^
ValueError: read_xtc_natoms failure; return code 12
ValueError: read_xtc_natoms failure; return code 12
File "D:\application\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\md_crds\read_coords.py", line 32, in read_coords
num_atoms, coords_list = read_xtc_file(file_name)
^^^^^^^^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 566.24
OpenGL renderer: NVIDIA GeForce MX250/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.4
Locale: zh_CN.cp936
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: windows
Manufacturer: HP
Model: HP ZHAN 66 Pro 14 G2
OS: Microsoft Windows 10 家庭中文版 (Build 19045)
Memory: 8,454,356,992
MaxProcessMemory: 137,438,953,344
CPU: 8 Intel(R) Core(TM) i5-8265U CPU @ 1.60GHz
OSLanguage: zh-CN
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
asttokens: 2.4.1
Babel: 2.15.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 2.0.0
build: 1.2.1
certifi: 2024.6.2
cftime: 1.6.4
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.17
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.7
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.57.1
ChimeraX-AtomicLibrary: 14.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.4.6
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.12.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.7
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: 2.2.4
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: 1.8
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.3
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.4
ChimeraX-DiffPlot: 1.0
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: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.2
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-Label: 1.1.10
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.2
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: 2.1.3
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.1
ChimeraX-MedicalToolbar: 1.0.3
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.17
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-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.5
ChimeraX-PDB: 2.7.5
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: 1.1.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.4.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.2
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: 3.0.15
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.11.2
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.16.5
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: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.39.1
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.3
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: 1.4.1
contourpy: 1.2.1
cxservices: 1.2.2
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.1
decorator: 5.1.1
docutils: 0.20.1
executing: 2.0.1
filelock: 3.13.4
fonttools: 4.53.0
funcparserlib: 2.0.0a0
glfw: 2.7.0
grako: 3.16.5
h5py: 3.11.0
html2text: 2024.2.26
idna: 3.7
ihm: 1.0
imagecodecs: 2024.1.1
imagesize: 1.4.1
ipykernel: 6.29.2
ipython: 8.21.0
ipywidgets: 8.1.3
jedi: 0.19.1
jinja2: 3.1.4
jupyter-client: 8.6.0
jupyter-core: 5.7.2
jupyterlab-widgets: 3.0.11
kiwisolver: 1.4.5
line-profiler: 4.1.2
lxml: 5.2.1
lz4: 4.3.3
MarkupSafe: 2.1.5
matplotlib: 3.8.4
matplotlib-inline: 0.1.7
msgpack: 1.0.8
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.0
numpy: 1.26.4
openvr: 1.26.701
packaging: 24.1
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pillow: 10.3.0
pip: 24.0
pkginfo: 1.10.0
platformdirs: 4.2.2
prompt-toolkit: 3.0.47
psutil: 5.9.8
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pygments: 2.17.2
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.1.2
pyproject-hooks: 1.1.0
PyQt6-commercial: 6.6.1
PyQt6-Qt6: 6.6.3
PyQt6-sip: 13.6.0
PyQt6-WebEngine-commercial: 6.6.0
PyQt6-WebEngine-Qt6: 6.6.3
python-dateutil: 2.9.0.post0
pytz: 2024.1
pywin32: 306
pyzmq: 26.0.3
qtconsole: 5.5.1
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.13.0
setuptools: 69.5.1
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 7.2.6
sphinx-autodoc-typehints: 2.0.1
sphinxcontrib-applehelp: 1.0.8
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.6
sphinxcontrib-htmlhelp: 2.0.5
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.7
sphinxcontrib-serializinghtml: 1.1.10
stack-data: 0.6.3
superqt: 0.6.3
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2024.1.30
tinyarray: 1.2.4
tornado: 6.4.1
traitlets: 5.14.2
typing-extensions: 4.12.2
tzdata: 2024.1
urllib3: 2.2.1
wcwidth: 0.2.13
webcolors: 1.13
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.11
WMI: 1.5.1
Change History (2)
comment:1 by , 4 months ago
| Component: | Unassigned → MD/Ensemble Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → XTC file with Unicode path |
comment:2 by , 4 months ago
| Resolution: | → duplicate |
|---|---|
| Status: | accepted → closed |
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Duplicate of #16493; xdrfile 1.1.4 is still the latest release.