Opened 4 months ago

Closed 4 months ago

#18290 closed defect (duplicate)

XTC file with Unicode path

Reported by: chimerax-bug-report@… 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 Eric Pettersen, 4 months ago

Component: UnassignedMD/Ensemble Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionXTC file with Unicode path

comment:2 by Eric Pettersen, 4 months ago

Resolution: duplicate
Status: acceptedclosed

Duplicate of #16493; xdrfile 1.1.4 is still the latest release.

Note: See TracTickets for help on using tickets.