Opened 7 weeks ago

Closed 7 weeks ago

Last modified 7 weeks ago

#18666 closed defect (can't reproduce)

Bad CSV file name

Reported by: chimerax-bug-report@… Owned by: pett
Priority: normal Milestone:
Component: Input/Output Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Windows-10-10.0.22631
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
Startup Messages  
---  
note | available bundle cache has not been initialized yet  
  
You can double click a model's Name or ID in the model panel to edit those
fields  
UCSF ChimeraX version: 1.8 (2024-06-10)  
© 2016-2024 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  
2025-08-28 10:23:00,798 WARNING Retrying (Retry(total=2, connect=None,
read=None, redirect=None, status=None)) after connection broken by
'NameResolutionError("<urllib3.connection.HTTPConnection object at
0x000001D9CA263C10>: Failed to resolve 'webservices.rbvi.ucsf.edu' ([Errno
11001] getaddrinfo failed)")':
/cxservices/api/v1/chimerax/updates?uuid=c58977d8-b2ec-5207-8f03-9dd7e8ebe31b&OS=windows&OSVersion=10.0.22631&ChimeraXVersion=1.8  
2025-08-28 10:23:00,802 WARNING Retrying (Retry(total=1, connect=None,
read=None, redirect=None, status=None)) after connection broken by
'NameResolutionError("<urllib3.connection.HTTPConnection object at
0x000001D9CA270550>: Failed to resolve 'webservices.rbvi.ucsf.edu' ([Errno
11001] getaddrinfo failed)")':
/cxservices/api/v1/chimerax/updates?uuid=c58977d8-b2ec-5207-8f03-9dd7e8ebe31b&OS=windows&OSVersion=10.0.22631&ChimeraXVersion=1.8  
2025-08-28 10:23:00,804 WARNING Retrying (Retry(total=0, connect=None,
read=None, redirect=None, status=None)) after connection broken by
'NameResolutionError("<urllib3.connection.HTTPConnection object at
0x000001D9CA271650>: Failed to resolve 'webservices.rbvi.ucsf.edu' ([Errno
11001] getaddrinfo failed)")':
/cxservices/api/v1/chimerax/updates?uuid=c58977d8-b2ec-5207-8f03-9dd7e8ebe31b&OS=windows&OSVersion=10.0.22631&ChimeraXVersion=1.8  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY2:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY3:" "The operation
completed successfully."  

> open C:/Users/Tsung-ITsai/Downloads/huMUC13_SEA_C14/model_1.cif

model_1.cif title:  
Chai-1 predicted structure [more info...]  
  
Chain information for model_1.cif #1  
---  
Chain | Description  
A | Entity A  
B | Entity B  
  
Color model_1.cif by residue attribute pLDDT_score  

> color bychain

> set bgColor white

> lighting full

Alignment identifier is 1/A  
Alignment identifier is 1/B  

> select /A:77

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select /A:77-86

77 atoms, 78 bonds, 10 residues, 1 model selected  

> show sel atoms

> select /A:121

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select /A:121-151

243 atoms, 244 bonds, 31 residues, 1 model selected  

> show sel atoms

> select clear

> select /A:142

6 atoms, 5 bonds, 1 residue, 1 model selected  

> select /A:142-145

24 atoms, 23 bonds, 4 residues, 1 model selected  

> select clear

> open C:/Users/Tsung-ITsai/Downloads/cyMUC13_SEA_C14/model_1.cif

model_1.cif title:  
Chai-1 predicted structure [more info...]  
  
Chain information for model_1.cif #2  
---  
Chain | Description  
A | Entity A  
B | Entity B  
  
Color model_1.cif by residue attribute pLDDT_score  

> color bychain

> align #1 toAtoms #2

Unequal number of atoms to pair, 3652 and 3645  

> select clear

> align #1 toAtoms #2

Unequal number of atoms to pair, 3652 and 3645  

> hide #2 models

> select #1/A:140

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:140-147

62 atoms, 62 bonds, 8 residues, 1 model selected  

> select clear

> show #2 models

> hide #2 models

> hide #1 models

> show #2 models

> select /A

3793 atoms, 3864 bonds, 500 residues, 2 models selected  

> align #1/A #2/A

Missing required "to_atoms" argument  

> align #1/A toAtoms #2/A

Unequal number of atoms to pair, 1900 and 1893  

> show #1 models

> select clear

> align #1/A toAtoms #2/A

Unequal number of atoms to pair, 1900 and 1893  

> align #1/A toAtoms #2/B

Unequal number of atoms to pair, 1900 and 1752  

> hide #2 models

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY1:" "The operation
completed successfully."  

[Repeated 2 time(s)]

The cached device pixel ratio value was stale on window expose. Please file a
QTBUG which explains how to reproduce.  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY2:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY3:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY2:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY3:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY2:" "The operation
completed successfully."  

"Unable to open monitor interface to \\\\\\\\.\\\DISPLAY3:" "The operation
completed successfully."  

> close

> open C:/Users/Tsung-ITsai/Downloads/huMUC13_SEA_C14/model_1.cif

model_1.cif title:  
Chai-1 predicted structure [more info...]  
  
Chain information for model_1.cif #1  
---  
Chain | Description  
A | Entity A  
B | Entity B  
  
Color model_1.cif by residue attribute pLDDT_score  

> set bgColor white

> color bychain

Alignment identifier is 1/A  
Alignment identifier is 1/B  

> contacts #1/A restrict #1/B saveFile AB_contacts.txt log true reveal true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    89 contacts
        atom1           atom2       overlap  distance
    /A ALA 108 CB   /B LYS 181 NZ    0.789    2.731
    /A SER 143 CA   /B TRP 219 CE3   0.571    3.069
    /A SER 144 N    /B TRP 219 CE3   0.534    2.866
    /A ALA 108 CB   /B LYS 181 CE    0.523    3.237
    /A SER 143 C    /B TRP 219 CZ3   0.522    2.848
    /A SER 143 C    /B TRP 219 CE3   0.384    2.986
    /A LYS 138 NZ   /B ASP 57 OD2    0.373    2.287
    /A SER 143 CA   /B TRP 219 CZ3   0.365    3.275
    /A LYS 138 NZ   /B ASP 55 CG     0.350    3.170
    /A SER 144 CB   /B TRP 219 CE2   0.323    3.167
    /A SER 144 N    /B TRP 219 CZ3   0.319    3.081
    /A LYS 138 NZ   /B ASP 57 CG     0.264    3.256
    /A SER 143 CB   /B TRP 219 O     0.241    3.059
    /A SER 142 CA   /B TRP 33 NE1    0.234    3.286
    /A LYS 138 CE   /B TRP 33 CZ2    0.167    3.473
    /A ALA 108 CB   /B LYS 181 CD    0.164    3.596
    /A SER 142 CA   /B TRP 33 CD1    0.158    3.482
    /A LYS 138 NZ   /B ASP 55 OD2    0.143    2.517
    /A ASP 110 OD2  /B LYS 181 CE    0.140    3.160
    /A SER 144 CB   /B TRP 219 CZ2   0.120    3.520
    /A SER 144 CB   /B TRP 219 CD2   0.118    3.372
    /A ARG 107 NH1  /B ASP 178 OD2   0.118    2.542
    /A SER 144 CB   /B TRP 219 NE1   0.070    3.450
    /A SER 143 O    /B TRP 219 CZ3   0.068    3.112
    /A ASP 110 CG   /B LYS 181 CE    0.044    3.716
    /A SER 142 CB   /B TRP 33 NE1    0.016    3.504
    /A SER 143 CA   /B TRP 219 O     0.013    3.287
    /A SER 142 O    /B PHE 224 CZ    -0.000    3.180
    /A SER 144 N    /B TRP 219 CD2   -0.017    3.267
    /A LYS 138 NZ   /B ASP 57 CB     -0.023    3.543
    /A ARG 141 C    /B TRP 33 CD1    -0.043    3.413
    /A ARG 107 NH1  /B TYR 177 CE2   -0.055    3.455
    /A LYS 138 CE   /B TYR 52 CD2    -0.056    3.696
    /A SER 144 CA   /B TRP 219 CZ3   -0.068    3.708
    /A LYS 138 CD   /B TYR 52 CD2    -0.073    3.713
    /A ASP 110 CG   /B LYS 181 NZ    -0.074    3.594
    /A ARG 141 O    /B TRP 33 CD1    -0.077    3.257
    /A LYS 138 CD   /B TYR 52 CE2    -0.088    3.728
    /A LYS 138 CG   /B TRP 33 CZ2    -0.104    3.744
    /A THR 53 CG2   /B TYR 160 OH    -0.110    3.450
    /A SER 144 CA   /B TRP 219 CE3   -0.114    3.754
    /A SER 142 N    /B TRP 33 NE1    -0.114    3.394
    /A SER 144 CB   /B HIS 162 NE2   -0.118    3.638
    /A SER 142 N    /B TRP 33 CD1    -0.121    3.521
    /A SER 144 CA   /B TRP 219 CH2   -0.125    3.765
    /A LYS 138 CE   /B TRP 33 CH2    -0.128    3.768
    /A SER 144 CB   /B TRP 219 CD1   -0.143    3.783
    /A ARG 141 NH1  /B THR 31 CB     -0.144    3.664
    /A ARG 107 NH1  /B ASP 178 CG    -0.148    3.668
    /A SER 144 N    /B TRP 219 O     -0.154    2.814
    /A SER 145 O    /B TYR 160 CE2   -0.157    3.337
    /A SER 144 CA   /B TRP 219 CZ2   -0.179    3.819
    /A SER 144 OG   /B TYR 160 CD2   -0.185    3.405
    /A SER 144 O    /B SER 220 CA    -0.193    3.493
    /A ARG 141 CD   /B THR 31 O      -0.209    3.509
    /A SER 142 CB   /B TRP 33 CE2    -0.215    3.705
    /A ILE 140 CG2  /B TRP 100 CH2   -0.216    3.856
    /A SER 142 CB   /B TRP 33 CZ2    -0.225    3.865
    /A SER 143 N    /B TRP 219 CZ3   -0.242    3.642
    /A ARG 107 CZ   /B ASP 178 OD2   -0.245    3.275
    /A LYS 138 O    /B TRP 33 NE1    -0.247    2.907
    /A ARG 107 NE   /B TRP 100 CZ2   -0.251    3.651
    /A LYS 138 CG   /B TYR 52 CE1    -0.253    3.893
    /A SER 144 OG   /B TYR 160 CB    -0.254    3.594
    /A LYS 138 CE   /B TYR 52 CB     -0.256    4.016
    /A ASN 146 OD1  /B THR 159 CG2   -0.266    3.566
    /A ARG 107 NH1  /B TYR 177 CD2   -0.272    3.672
    /A SER 144 CB   /B TRP 219 CE3   -0.278    3.918
    /A SER 144 N    /B TRP 219 CH2   -0.281    3.681
    /A THR 53 CB    /B TYR 160 OH    -0.282    3.622
    /A ARG 141 CA   /B TRP 100 CE3   -0.285    3.925
    /A SER 144 CA   /B TRP 219 CD2   -0.289    3.779
    /A ASN 146 ND2  /B THR 159 CG2   -0.290    3.810
    /A SER 144 CB   /B TRP 219 CG    -0.293    3.783
    /A SER 144 O    /B SER 220 CB    -0.302    3.602
    /A SER 143 C    /B TRP 219 CH2   -0.311    3.681
    /A LYS 138 CE   /B ASP 55 OD2    -0.319    3.619
    /A SER 144 CA   /B TRP 219 CE2   -0.327    3.817
    /A LEU 148 O    /B TRP 100 CZ2   -0.329    3.509
    /A SER 142 CA   /B TRP 33 CE2    -0.330    3.820
    /A LYS 138 CE   /B TYR 52 CG     -0.332    3.822
    /A LYS 138 CE   /B ASP 57 OD2    -0.340    3.640
    /A ASP 110 OD2  /B LYS 181 NZ    -0.344    3.004
    /A ARG 141 CB   /B TRP 33 CD1    -0.351    3.991
    /A SER 144 CB   /B TRP 219 CH2   -0.356    3.996
    /A ARG 141 CD   /B TYR 32 CE1    -0.369    4.009
    /A ASN 146 CG   /B THR 159 CG2   -0.372    3.862
    /A LYS 138 CG   /B TYR 52 CD1    -0.380    4.020
    /A ARG 107 NH2  /B ASP 178 CG    -0.388    3.908
    

  
89 contacts  

> contacts #1/A restrict #1/B distanceCutoff 4.0 saveFile AB_contacts_4A.txt

Expected a keyword  

> graphics silhouettes true

> cd "C:/Users/Tsung-ITsai/OneDrive - IMMUNOME
> INC/Project_Immunome/ADC_009_MUC13/PDB/cyMUC13_SEA_C14"

Current working directory is: C:\Users\Tsung-ITsai\OneDrive - IMMUNOME
INC\Project_Immunome\ADC_009_MUC13\PDB\cyMUC13_SEA_C14  

> contacts #1/A restrict #1/B distanceCutoff 4.0 saveFile AB_contacts_4A.txt

Expected a keyword  

> contacts #1/A restrict #1/B distanceCutoff 4.0 saveFile C:\Users\Tsung-
> ITsai\OneDrive - IMMUNOME
> INC\Project_Immunome\ADC_009_MUC13\PDB\AB_contacts_4A.txt

Expected a keyword  

> contacts #1/A restrict #1/B distanceCutoff 4.0 saveFile C:\Users\Tsung-
> ITsai\OneDrive - IMMUNOME
> INC\Project_Immunome\ADC_009_MUC13\PDB\AB_contacts_4A.txt

Expected a keyword  

> contacts #1/A restrict #1/B distanceOnly 4.0 saveFile "C:\Users\Tsung-
> ITsai\OneDrive - IMMUNOME
> INC\Project_Immunome\ADC_009_MUC13\PDB\AB_contacts_4A.txt"

137 distances  

> contacts #1/A restrict #1/B distanceOnly 4.0 saveFile "C:\Users\Tsung-
> ITsai\OneDrive - IMMUNOME
> INC\Project_Immunome\ADC_009_MUC13\PDB\AB_contacts_4A.csv"

137 distances  

> contacts #1/A restrict #1/B distanceOnly 4.0 saveFile
> C:\path\AB_contacts_4A.csv format csv

Expected a keyword  

> contacts #1/A restrict #1/B distanceOnly 4.0 saveFile "C:\Users\Tsung-
> ITsai\OneDrive - IMMUNOME
> INC\Project_Immunome\ADC_009_MUC13\PDB\AB_contacts_4A.csv" format csv

Expected a keyword  

> contacts #1/A restrict #1/B distanceOnly 4.0 saveFile
> C:\path\AB_contacts_4A.csv format csv

Expected a keyword  

> contacts #1/A restrict #1/B distanceOnly 4 saveFile
> C:\path\AB_contacts_4A.csv log true
    
    
    Ignore distances between atoms separated by 4 bonds or less
    Detect intra-residue distances: False
    Detect intra-molecule distances: True
    
    137 distances
        atom1           atom2       distance
    /A LYS 138 NZ   /B ASP 57 OD2     2.287
    /A LYS 138 NZ   /B ASP 55 OD2     2.517
    /A ARG 107 NH1  /B ASP 178 OD2    2.542
    /A ALA 108 CB   /B LYS 181 NZ     2.731
    /A SER 144 N    /B TRP 219 O      2.814
    /A SER 143 C    /B TRP 219 CZ3    2.848
    /A SER 144 N    /B TRP 219 CE3    2.866
    /A LYS 138 O    /B TRP 33 NE1     2.907
    /A SER 143 C    /B TRP 219 CE3    2.986
    /A ASP 110 OD2  /B LYS 181 NZ     3.004
    /A SER 143 CB   /B TRP 219 O      3.059
    /A ARG 141 NH1  /B THR 31 O       3.068
    /A SER 143 CA   /B TRP 219 CE3    3.069
    /A SER 144 N    /B TRP 219 CZ3    3.081
    /A LYS 138 NZ   /B ASP 55 OD1     3.107
    /A SER 143 O    /B TRP 219 CZ3    3.112
    /A ASP 110 OD2  /B LYS 181 CE     3.160
    /A SER 144 CB   /B TRP 219 CE2    3.167
    /A LYS 138 NZ   /B ASP 55 CG      3.170
    /A SER 142 O    /B PHE 224 CZ     3.180
    /A SER 142 O    /B GLN 50 NE2     3.194
    /A ASN 146 OD1  /B TYR 160 OH     3.201
    /A ALA 108 CB   /B LYS 181 CE     3.237
    /A SER 144 OG   /B HIS 162 NE2    3.250
    /A LYS 138 NZ   /B ASP 57 CG      3.256
    /A ARG 141 O    /B TRP 33 CD1     3.257
    /A SER 144 N    /B TRP 219 CD2    3.267
    /A ARG 107 NH2  /B ASP 178 OD2    3.269
    /A ARG 107 CZ   /B ASP 178 OD2    3.275
    /A SER 143 CA   /B TRP 219 CZ3    3.275
    /A SER 142 CA   /B TRP 33 NE1     3.286
    /A SER 143 CA   /B TRP 219 O      3.287
    /A ARG 107 O    /B TYR 177 OH     3.318
    /A SER 145 O    /B TYR 160 CE2    3.337
    /A SER 142 O    /B GLN 50 OE1     3.365
    /A SER 144 CB   /B TRP 219 CD2    3.372
    /A SER 144 O    /B SER 220 OG     3.376
    /A SER 142 N    /B TRP 33 NE1     3.394
    /A SER 144 OG   /B TYR 160 CD2    3.405
    /A ARG 141 C    /B TRP 33 CD1     3.413
    /A SER 144 CB   /B TRP 219 NE1    3.450
    /A THR 53 CG2   /B TYR 160 OH     3.450
    /A ARG 107 NH1  /B TYR 177 CE2    3.455
    /A LYS 138 CE   /B TRP 33 CZ2     3.473
    /A SER 142 OG   /B GLN 50 OE1     3.476
    /A SER 142 CA   /B TRP 33 CD1     3.482
    /A SER 144 O    /B SER 220 CA     3.493
    /A SER 142 CB   /B TRP 33 NE1     3.504
    /A LEU 148 O    /B TRP 100 CZ2    3.509
    /A ARG 141 CD   /B THR 31 O       3.509
    /A SER 144 CB   /B TRP 219 CZ2    3.520
    /A SER 142 N    /B TRP 33 CD1     3.521
    /A LYS 138 NZ   /B ASP 57 CB      3.543
    /A SER 143 C    /B TRP 219 O      3.544
    /A ASN 146 OD1  /B THR 159 CG2    3.566
    /A ILE 140 O    /B TRP 100 CZ3    3.583
    /A SER 144 OG   /B TYR 160 CB     3.594
    /A ASP 110 CG   /B LYS 181 NZ     3.594
    /A ALA 108 CB   /B LYS 181 CD     3.596
    /A SER 144 O    /B SER 220 CB     3.602
    /A LYS 138 CE   /B ASP 55 OD2     3.619
    /A THR 53 CB    /B TYR 160 OH     3.622
    /A SER 144 CB   /B HIS 162 NE2    3.638
    /A LYS 138 CE   /B ASP 57 OD2     3.640
    /A SER 143 N    /B TRP 219 CZ3    3.642
    /A ARG 107 NE   /B TRP 100 CZ2    3.651
    /A SER 143 O    /B TRP 219 CH2    3.659
    /A ARG 141 NH1  /B THR 31 CB      3.664
    /A ARG 107 NH1  /B ASP 178 CG     3.668
    /A ARG 107 NH1  /B TYR 177 CD2    3.672
    /A SER 142 O    /B PHE 224 CE2    3.674
    /A SER 143 C    /B TRP 219 CH2    3.681
    /A SER 144 N    /B TRP 219 CH2    3.681
    /A SER 142 O    /B GLN 50 CD      3.685
    /A LYS 138 CE   /B TYR 52 CD2     3.696
    /A SER 142 CB   /B TRP 33 CE2     3.705
    /A ARG 107 NH2  /B ASP 178 OD1    3.706
    /A SER 144 CA   /B TRP 219 CZ3    3.708
    /A SER 144 N    /B TRP 219 C      3.708
    /A LYS 138 CD   /B TYR 52 CD2     3.713
    /A ASP 110 CG   /B LYS 181 CE     3.716
    /A SER 143 O    /B TRP 219 CE3    3.722
    /A LYS 138 CD   /B TYR 52 CE2     3.728
    /A ASP 110 OD1  /B LYS 181 NZ     3.730
    /A PHE 147 O    /B TRP 100 CH2    3.742
    /A LYS 138 CG   /B TRP 33 CZ2     3.744
    /A ARG 141 C    /B TRP 33 NE1     3.748
    /A ARG 107 O    /B TYR 177 CE2    3.750
    /A SER 144 OG   /B HIS 162 CE1    3.751
    /A SER 144 CA   /B TRP 219 CE3    3.754
    /A SER 144 CA   /B TRP 219 CH2    3.765
    /A LYS 138 CE   /B TRP 33 CH2     3.768
    /A ASN 146 OD1  /B TYR 160 CZ     3.770
    /A SER 144 CA   /B TRP 219 CD2    3.779
    /A SER 144 CB   /B TRP 219 CG     3.783
    /A SER 144 CB   /B TRP 219 CD1    3.783
    /A ASN 146 ND2  /B THR 159 CG2    3.810
    /A SER 144 N    /B TRP 219 CE2    3.816
    /A SER 144 CA   /B TRP 219 CE2    3.817
    /A SER 143 N    /B TRP 219 CE3    3.818
    /A SER 144 CA   /B TRP 219 CZ2    3.819
    /A SER 142 CA   /B TRP 33 CE2     3.820
    /A LYS 138 CE   /B TYR 52 CG      3.822
    /A SER 145 C    /B TYR 160 CE2    3.841
    /A LYS 138 O    /B TRP 33 CD1     3.851
    /A ILE 140 CG2  /B TRP 100 CH2    3.856
    /A SER 142 O    /B TRP 219 CE3    3.857
    /A ASN 146 CG   /B THR 159 CG2    3.862
    /A SER 144 CA   /B TRP 219 O      3.863
    /A SER 142 CB   /B TRP 33 CZ2     3.865
    /A LYS 138 O    /B TRP 33 CE2     3.867
    /A SER 143 C    /B TRP 219 CD2    3.871
    /A SER 144 CB   /B TRP 219 O      3.880
    /A SER 142 OG   /B TRP 33 CZ2     3.881
    /A LYS 138 CD   /B ASP 55 OD2     3.886
    /A LYS 138 CG   /B TYR 52 CE1     3.893
    /A ARG 107 NH2  /B ASP 178 CG     3.908
    /A LYS 138 CE   /B ASP 55 OD1     3.910
    /A ASN 146 OD1  /B TYR 160 CE2    3.911
    /A ARG 141 O    /B TRP 219 CZ3    3.913
    /A LEU 148 O    /B TRP 100 CH2    3.917
    /A LYS 138 CG   /B TYR 52 CZ      3.918
    /A SER 144 CB   /B TRP 219 CE3    3.918
    /A ARG 141 CA   /B TRP 100 CE3    3.925
    /A LYS 138 C    /B TRP 33 NE1     3.925
    /A SER 145 O    /B TYR 160 CD2    3.941
    /A SER 144 OG   /B TYR 160 CG     3.947
    /A SER 142 OG   /B TRP 33 CE2     3.951
    /A LYS 138 CG   /B TRP 33 NE1     3.962
    /A ARG 141 NH1  /B THR 31 OG1     3.968
    /A SER 144 OG   /B TRP 219 CE2    3.969
    /A ARG 141 O    /B TRP 33 NE1     3.979
    /A ARG 107 O    /B TYR 177 CZ     3.983
    /A ARG 141 CB   /B TRP 33 CD1     3.991
    /A SER 144 OG   /B TRP 219 NE1    3.993
    /A SER 144 CB   /B TRP 219 CH2    3.996
    /A ARG 107 NE   /B TRP 100 CH2    3.996
    

  
Traceback (most recent call last):  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\cmd_line\tool.py", line 319, in execute  
cmd.run(cmd_text)  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\core\commands\cli.py", line 3213, in run  
result = ci.function(session, **kw_args)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\clashes\cmd.py", line 54, in cmd_contacts  
return _cmd(session, test_atoms, name, hbond_allowance, overlap_cutoff,
"contacts", color, radius, **kw)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\clashes\cmd.py", line 161, in _cmd  
_file_output(save_file, info, naming_style)  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\clashes\cmd.py", line 245, in _file_output  
out_file = open_output(file_name, 'utf-8')  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-packages\chimerax\io\io.py",
line 87, in open_output  
return open(fs_output, mode, encoding=encoding)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
FileNotFoundError: [Errno 2] No such file or directory:
'C:\\\path\\\AB_contacts_4A.csv'  
  
FileNotFoundError: [Errno 2] No such file or directory:
'C:\\\path\\\AB_contacts_4A.csv'  
  
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-packages\chimerax\io\io.py",
line 87, in open_output  
return open(fs_output, mode, encoding=encoding)  
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 - Build 32.0.101.6127
OpenGL renderer: Intel(R) Iris(R) Xe Graphics
OpenGL vendor: Intel

Python: 3.11.4
Locale: en_US.cp1252
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: windows

Manufacturer: HP
Model: HP Elite x360 1040 14 inch G10 2-in-1 Notebook PC
OS: Microsoft Windows 11 Enterprise (Build 22631)
Memory: 16,794,263,552
MaxProcessMemory: 137,438,953,344
CPU: 12 13th Gen Intel(R) Core(TM) i7-1355U
OSLanguage: en-US

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-clix: 0.1.10
    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 (3)

comment:1 by pett, 7 weeks ago

Component: UnassignedInput/Output
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionBas CSV file name

comment:2 by pett, 7 weeks ago

Resolution: can't reproduce
Status: acceptedclosed

Seems unlikely that C:\path\ is correct. If this happens more often I might consider catching the error.

comment:3 by pett, 7 weeks ago

Summary: Bas CSV file nameBad CSV file name
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