Opened 6 hours ago
Closed 4 hours ago
#20826 closed defect (fixed)
Render By Attribute generates wrong command
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Structure Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-15.7.7-arm64-arm-64bit
ChimeraX Version: 1.12 (2026-06-12 03:42:34 UTC)
Description
The gui tool "Render/Select by Attribute" does not work as intended when selecting by attribute using the "outside thresholds" mode. Specifically, when limiting the selection to a single model, the model selection is only applied to the lower bound critera, not the upper bound, e.g. it will execute the command "select #4@@bfactor<5.0 | @@bfactor>40.0". In this exqample, atoms with bfactor < 5 from only #4 will be selected, but atoms from ALL models with bfactor > 40 will be selected too. Adding the '&' operator to the command executed by the gui solves this issue, e.g, "select #4&@@bfactor<5.0 | @@bfactor>40.0". This can be replicated using the attached file.
Log:
UCSF ChimeraX version: 1.12 (2026-06-12)
© 2016-2026 Regents of the University of California. All rights reserved.
> surface cap false
Log from Thu Aug 6 11:56:19 2026UCSF ChimeraX version: 1.10 (2025-06-26)
© 2016-2025 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/wat2-wall_tddft_ls.out"
Opened wat2-wall_tddft_ls.out as an ORCA output file
> ui tool show "Orbital Viewer"
0.517455424
(6895277, 1160391666)
Opened MO beta 224 as #1.2, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> hide #1.2
0.517455424
(6823928, 1167124725)
Opened MO beta 225 as #1.3, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/Lb+2.png" width 935 height 859 supersample 3
> hide #1.3
0.517455424
(6817600, 1173926645)
Opened MO beta 228 as #1.4, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/Lb+5.png" width 1109 height 859 supersample 3
> hide #1.4
0.517455424
(6815224, 1187539421)
Opened MO beta 229 as #1.5, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/Lb+6.png" width 1109 height 859 supersample 3
> hide #1.5
0.517455424
(6815160, 1146686945)
Opened MO alpha 223 as #1.6, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/La.png" width 1109 height 859 supersample 3
> hide #1.6
0.517455424
(6814840, 1194348185)
Opened MO beta 223 as #1.7, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> show #1.6
> volume #1.6 level -0.050 level 0.050 color #0433ff80 color #00fdff80
> hide #1.7
> hide #1.6
0.517455424
(6820344, 1160310033)
Opened MO alpha 224 as #1.8, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/La+1.png" width 1109 height 859 supersample 3
> hide #1.8
0.517455424
(6814808, 1139878181)
Opened MO alpha 226 as #1.9, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/La+3.png" width 1109 height 859 supersample 3
> hide #1.9
0.517455424
(6814992, 1160306445)
Opened MO beta 231 as #1.10, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> show #1.10
> volume #1.10 level -0.050 level 0.050 color #0433ff80 color #00fdff80
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/Lb+8.png" width 1109 height 859 supersample 3
> hide #1.10
0.517455424
(6815240, 1173923413)
Opened MO alpha 232 as #1.11, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat2_wiggle/out.wat2-wall_opt-
> tddft_ls/tddft/Images/La+9.png" width 1109 height 859 supersample 3
> hide #1.11
0.517455424
(6815352, 1139880042)
Opened MO beta 233 as #1.12, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> hide #1.12
0.517455424
(6815072, 1139879787)
Opened MO alpha 234 as #1.13, grid size 107,97,82, pixel 0.202,0.201,0.201,
shown at level -0.05,0.05, step 1, values float64
> open "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/output/wat1-wall_tddft.out"
Opened wat1-wall_tddft.out as an ORCA output file
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!1 models
0.517455424
(6821344, 1139797226)
Opened MO beta 216 as #2.2, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb.png" width 1109 height 859 supersample 3
> hide #2.2
0.517455424
(6821640, 1112560866)
Opened MO beta 219 as #2.3, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+3.png" width 1109 height 859 supersample 3
> hide #2.3
0.517455424
(6815160, 1098937475)
Opened MO beta 217 as #2.4, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+1.png" width 1109 height 859 supersample 3
> hide #2.4
0.517455424
(6815576, 1119364899)
Opened MO beta 218 as #2.5, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+2.png" width 1109 height 859 supersample 3
> hide #2.5
0.517455424
(6814896, 1098937578)
Opened MO beta 238 as #2.6, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+22.png" width 1109 height 859 supersample 3
> hide #2.6
0.517455424
(6815128, 1119428506)
Opened MO beta 239 as #2.7, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> show #2.7
> volume #2.7 level -0.050 level 0.050 color #0433ff80 color #00fdff80
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+23.png" width 1109 height 859 supersample 3
> hide #2.7
0.517455424
(6815856, 1092130306)
Opened MO beta 235 as #2.8, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/Lb+19.png" width 1109 height 859 supersample 3
> hide #2.8
0.517455424
(6814808, 1105746022)
Opened MO alpha 222 as #2.9, grid size 107,97,82, pixel 0.202,0.201,0.2, shown
at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/La+2.png" width 1109 height 859 supersample 3
> hide #2.9
0.517455424
(6813248, 1139788186)
Opened MO alpha 224 as #2.10, grid size 107,97,82, pixel 0.202,0.201,0.2,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/La+4.png" width 1109 height 859 supersample 3
> hide #2.10
0.517455424
(6815104, 1098937458)
Opened MO alpha 225 as #2.11, grid size 107,97,82, pixel 0.202,0.201,0.2,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/La+5.png" width 1109 height 859 supersample 3
> hide #2.11
0.517455424
(6814872, 1105746658)
Opened MO alpha 226 as #2.12, grid size 107,97,82, pixel 0.202,0.201,0.2,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/La+6.png" width 1109 height 859 supersample 3
> show #2.12
> volume #2.12 level -0.050 level 0.050 color #0433ff80 color #00fdff80
> hide #2.12
0.517455424
(6815800, 1092262234)
Opened MO alpha 228 as #2.13, grid size 107,97,82, pixel 0.202,0.201,0.2,
shown at level -0.05,0.05, step 1, values float64
> save "/Users/sir_mr_dog/Documents/Grad School/Borgstahl Lab/SSRL Data/June
> 2025/FeSOD2_QM/Fe_red/tddft/B3LYP/wat1_wiggle/out.wat1-wall_opt-
> tddft/tddft/orbital_imgs/La+8.png" width 1109 height 859 supersample 3
> hide #2.1 models
> hide #1.1 models
> show #1.1 models
> hide #1.1 models
> hide #!1 models
> hide #!2.13 models
> select clear
> open "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/Only monomer.pdb"
Chain information for Only monomer.pdb #3
---
Chain | Description
A | No description available
24 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
Computing secondary structure
> move cofr #3
> cofr 0,0,0
> move cofr #3
> style #3#!2 stick
Changed 3212 atom styles
> hide #!2 models
> hide #3 cartoons
> show #3 cartoons
> style #3 stick
Changed 3095 atom styles
> hide #3 cartoons
> style #3 stick
Changed 3095 atom styles
> show #3 atoms
> delete atoms @H
> delete atoms H
> select clear
> save "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/min_monomer.pdb" models #3
> open "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/min_monomer.pdb"
Chain information for min_monomer.pdb #4
---
Chain | Description
A | No description available
9 atoms have alternate locations. Control/examine alternate locations with
Altloc Explorer [start tool...] or the altlocs command.
> save "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/only_monomer.xyz" models #4 coordsets false
> append false
> hide #4 models
> show #4 models
> hide #3 models
> show #!2 models
> hide #!2 models
> show #3 models
> show #!2 models
> hide #!2 models
> close session
> open "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.1.pdb"
> "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.2.pdb"
> "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.3.pdb"
Summary of feedback from opening
/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.1.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK TITLE Use all monomer ensemmble
Ignored bad PDB record found on line 2
REMARK Log-Likelihood Gain: 13888.957
Ignored bad PDB record found on line 3
REMARK RFZ=4.2 TFZ=14.8 PAK=0 LLG=242 TFZ==17.2 RFZ=5.2 TFZ=46.4 PAK=0
LLG=1743 TFZ==48.9 LLG=13889 TFZ==119.6
Ignored bad PDB record found on line 4
REMARK ENSEMBLE monomers EULER 191.61 0.41 348.20 FRAC -0.362 0.154 0.058
Ignored bad PDB record found on line 5
REMARK ENSEMBLE monomers EULER 301.54 159.01 61.34 FRAC 0.074 0.409 0.127
Summary of feedback from opening
/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.2.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK TITLE Use all monomer ensemmble
Ignored bad PDB record found on line 2
REMARK RFZ=4.2 TFZ=14.8 PAK=0 LLG=242 TFZ==17.2 RFZ=5.2 TFZ=46.4 PAK=0
Ignored bad PDB record found on line 3
REMARK ENSEMBLE monomers EULER 64.48 0.30 114.95 FRAC -0.362 0.153 0.058
Ignored bad PDB record found on line 4
REMARK ENSEMBLE monomers EULER 299.90 159.40 61.06 FRAC 0.072 0.408 0.126
Summary of feedback from opening
/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.3.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK TITLE Use all monomer ensemmble
Ignored bad PDB record found on line 2
REMARK Log-Likelihood Gain: 91.435
Ignored bad PDB record found on line 3
REMARK RFZ=4.2 TFZ=8.2 PAK=3 LLG=91 TFZ==9.9
Ignored bad PDB record found on line 4
REMARK ENSEMBLE monomers EULER 62.64 0.85 117.31 FRAC -0.363 0.152 0.093
Chain information for X-ray_red_phaser.1.pdb #1
---
Chain | Description
A B | No description available
Chain information for X-ray_red_phaser.2.pdb #2
---
Chain | Description
A B | No description available
Chain information for X-ray_red_phaser.3.pdb #3
---
Chain | Description
A | No description available
Computing secondary structure
[Repeated 2 time(s)]
> hide #1 models
> hide #2 models
> hide #3 models
> show #3 models
> hide #3 models
> show #1 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> show #2 models
> hide #2 models
> close #2
> close #3
> ui tool show "Crystal Contacts"
> crystalcontacts #1 distance 1
2 pairs of asymmetric units of X-ray_red_phaser.1.pdb contact at distance 1.0
A
Atoms MTRIX SMTRY Unit cell MTRIXref Copies
4 0 6 -1 0 0 0 1
3 0 6 0 1 0 0 1
> crystalcontacts #1 distance 2
5 pairs of asymmetric units of X-ray_red_phaser.1.pdb contact at distance 2.0
A
Atoms MTRIX SMTRY Unit cell MTRIXref Copies
12 0 6 0 1 0 0 1
12 0 6 -1 0 0 0 1
9 0 11 0 1 0 0 1
2 0 5 1 1 0 0 1
2 0 4 -1 0 -1 0 1
> crystalcontacts delete #1
> crystalcontacts #1 distance 2
5 pairs of asymmetric units of X-ray_red_phaser.1.pdb contact at distance 2.0
A
Atoms MTRIX SMTRY Unit cell MTRIXref Copies
12 0 6 0 1 0 0 1
12 0 6 -1 0 0 0 1
9 0 11 0 1 0 0 1
2 0 5 1 1 0 0 1
2 0 4 -1 0 -1 0 1
> select add #1
6190 atoms, 6282 bonds, 396 residues, 1 model selected
> ui tool show "Color Actions"
> ui tool show "Render/Select by Attribute"
> select clear
> select #2.3/B:34
21 atoms, 21 bonds, 1 residue, 1 model selected
> select up
348 atoms, 351 bonds, 22 residues, 1 model selected
> select up
3095 atoms, 3141 bonds, 198 residues, 1 model selected
> select up
6190 atoms, 6282 bonds, 396 residues, 1 model selected
> select ~sel & ##selected
Nothing selected
> select ~sel & ##selected
Nothing selected
> select add #2.1
6190 atoms, 6282 bonds, 396 residues, 1 model selected
> select subtract #2.1
Nothing selected
> select add #2.3
6190 atoms, 6282 bonds, 396 residues, 1 model selected
> select subtract #2.3
Nothing selected
> close #2.1-2,4-5
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #1#2.3 target cabs palette
> 4.28,blue:20.7626,white:65.5486,red
12380 atoms, 792 residues, atom bfactor range 4.28 to 130
> show atoms
> hide #!2 models
> show #!2 models
> hide #!2 models
> select #1/B:105@HB3
1 atom, 1 residue, 1 model selected
> select up
12 atoms, 11 bonds, 1 residue, 1 model selected
> select up
213 atoms, 214 bonds, 13 residues, 1 model selected
> select up
3095 atoms, 3141 bonds, 198 residues, 1 model selected
> delete atoms sel
> show #!2 models
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
24 atoms, 25 bonds, 1 residue, 1 model selected
> select up
160 atoms, 162 bonds, 9 residues, 1 model selected
> select up
3095 atoms, 3141 bonds, 198 residues, 1 model selected
> delete atoms sel
> ui tool show "Render/Select by Attribute"
> select #1#2.3@@bfactor<4.28000020980835 | @@bfactor>72.93900432861028
3147 atoms, 3167 bonds, 206 residues, 2 models selected
> hide sel cartoons
> select clear
> combine #1#2.3
> hide #1 models
> hide #2.3 models
> hide #!2 models
> select add #3
6190 atoms, 6282 bonds, 396 residues, 1 model selected
> select subtract #3
Nothing selected
> ui tool show "Render/Select by Attribute"
> select #3@@bfactor<4.28000020980835 | @@bfactor>71.9045781358423
188 atoms, 88 bonds, 30 residues, 3 models selected
> delete atoms sel
> select clear
> select up
2 atoms, 1 bond, 1 residue, 1 model selected
> select up
18 atoms, 17 bonds, 1 residue, 1 model selected
> delete atoms sel
> select clear
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #3 target cabs palette
> 4.28,blue:18.513,white:52.5484,red
6078 atoms, 393 residues, atom bfactor range 4.28 to 71.3
> ui tool show "Render/Select by Attribute"
> select #3@@bfactor<4.28000020980835 | @@bfactor>59.59474183060961
209 atoms, 26 bonds, 55 residues, 3 models selected
> hide sel & #3 cartoons
> select up
998 atoms, 947 bonds, 55 residues, 3 models selected
> select up
5391 atoms, 5435 bonds, 347 residues, 3 models selected
> hide sel & #3 cartoons
> select down
998 atoms, 947 bonds, 55 residues, 3 models selected
> select down
209 atoms, 26 bonds, 55 residues, 3 models selected
> select up
998 atoms, 947 bonds, 55 residues, 3 models selected
> delete atoms sel & sideonly
> select up
4718 atoms, 4764 bonds, 347 residues, 3 models selected
> select down
325 atoms, 276 bonds, 55 residues, 3 models selected
> select down
325 atoms, 276 bonds, 55 residues, 3 models selected
> select down
325 atoms, 276 bonds, 55 residues, 3 models selected
> select down
325 atoms, 276 bonds, 55 residues, 3 models selected
> select clear
> select #3:0
Nothing selected
> select #3:1
5 atoms, 4 bonds, 1 residue, 1 model selected
> select #3:1
5 atoms, 4 bonds, 1 residue, 1 model selected
> delete atoms sel
> select H
5540 atoms, 786 residues, 3 models selected
> delete atoms sel
> select clear
> hide #3 cartoons
> show #!2 models
> hide #!2 models
> select H
Nothing selected
> select #3:179
10 atoms, 8 bonds, 2 residues, 1 model selected
> view sel
> select #3:198
Nothing selected
> select #3:197
8 atoms, 6 bonds, 2 residues, 1 model selected
> select #3:196-197
20 atoms, 18 bonds, 4 residues, 1 model selected
> select #3:197
8 atoms, 6 bonds, 2 residues, 1 model selected
> delete atoms sel
> ui tool show "Render/Select by Attribute"
> select #3@@bfactor<4.28000020980835 | @@bfactor>43.06608217053068
122 atoms, 63 bonds, 54 residues, 3 models selected
> select #3@@bfactor<4.28000020980835 | @@bfactor>37.419604747599735
276 atoms, 180 bonds, 100 residues, 3 models selected
> select up
764 atoms, 690 bonds, 100 residues, 3 models selected
> select #3@@bfactor<4.28000020980835 | @@bfactor>40.0
200 atoms, 118 bonds, 84 residues, 3 models selected
> select #3@@bfactor<4.28000020980835 | @@bfactor>37.07219689181358
284 atoms, 188 bonds, 102 residues, 3 models selected
> select #3@@bfactor<4.28000020980835 | @@bfactor>35.60829533772042
342 atoms, 226 bonds, 122 residues, 3 models selected
> select #3@@bfactor<4.28000020980835 | @@bfactor>35.0
368 atoms, 250 bonds, 126 residues, 3 models selected
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/histogram.py", line 779, in _set_value_cb
v = eval(val_text)
^^^^^^^^^^^^^^
File "<string>", line 0
SyntaxError: invalid syntax
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/histogram.py", line 781, in _set_value_cb
raise ValueError("Invalid histogram value")
ValueError: Invalid histogram value
ValueError: Invalid histogram value
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/ui/widgets/histogram.py", line 781, in _set_value_cb
raise ValueError("Invalid histogram value")
See log for complete Python traceback.
> delete atoms sel
> select #!3@@bfactor<3.437083403269449 | @@bfactor>35.0
Nothing selected
> combine #1#2.3 name pruned
> close #3
> combine #1#2.3 name unpruned
> hide #!3 models
> select add #4
2790 atoms, 2857 bonds, 9 pseudobonds, 385 residues, 2 models selected
> show sel cartoons
> hide sel cartoons
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #!4 target cabs palette
> 4.28,blue:19.64,white:35,red
2790 atoms, 385 residues, atom bfactor range 4.28 to 35
> show #!1 models
> show #!2 models
> hide #!2 models
> hide #!1 models
> hide #!4 models
> select subtract #4
Nothing selected
> show #!2 models
> show #!1 models
> hide #!1 models
> show #!1 models
> hide #!2 models
> show #!2 models
> show #!2.3 models
> hide #!2 models
> show #!2 models
> close session
> open "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.1.pdb"
Summary of feedback from opening
/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
Data/Jun_2026/Reduced/X-ray/phaser_7/X-ray_red_phaser.1.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK TITLE Use all monomer ensemmble
Ignored bad PDB record found on line 2
REMARK Log-Likelihood Gain: 13888.957
Ignored bad PDB record found on line 3
REMARK RFZ=4.2 TFZ=14.8 PAK=0 LLG=242 TFZ==17.2 RFZ=5.2 TFZ=46.4 PAK=0
LLG=1743 TFZ==48.9 LLG=13889 TFZ==119.6
Ignored bad PDB record found on line 4
REMARK ENSEMBLE monomers EULER 191.61 0.41 348.20 FRAC -0.362 0.154 0.058
Ignored bad PDB record found on line 5
REMARK ENSEMBLE monomers EULER 301.54 159.01 61.34 FRAC 0.074 0.409 0.127
Chain information for X-ray_red_phaser.1.pdb #1
---
Chain | Description
A B | No description available
Computing secondary structure
> ui tool show "Crystal Contacts"
> crystalcontacts #1
7 pairs of asymmetric units of X-ray_red_phaser.1.pdb contact at distance 3.0
A
Atoms MTRIX SMTRY Unit cell MTRIXref Copies
331 0 11 0 1 0 0 1
40 0 6 -1 0 0 0 1
25 0 6 0 1 0 0 1
25 0 4 -1 0 -1 0 1
22 0 5 1 1 0 0 1
7 0 11 1 1 0 0 1
6 0 11 -1 0 0 0 1
> close #2.2-7
> delete atoms H
> select clear
> show atoms
> select clear
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #1#2.1 target cabs palette
> 4.28,blue:56.52,white:108.76,red
6284 atoms, 792 residues, atom bfactor range 4.28 to 109
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #1#2.1 target cabs palette
> 4.28,blue:17.509,white:45.9948,red
6284 atoms, 792 residues, atom bfactor range 4.28 to 109
> ui tool show "Render/Select by Attribute"
> color byattribute a:bfactor #1#2.1 target cabs palette
> 4.28,blue:20,white:45,red
6284 atoms, 792 residues, atom bfactor range 4.28 to 109
> color byattribute a:bfactor #1#2.1 target cabs palette
> 4.28,blue:20,white:50,red
6284 atoms, 792 residues, atom bfactor range 4.28 to 109
> select #1#2.1@@bfactor<4.28000020980835 | @@bfactor>45.0
3298 atoms, 3336 bonds, 448 residues, 2 models selected
> hide sel cartoons
> select #1#2.1@@bfactor<4.28000020980835 | @@bfactor>49.99999999999999
3261 atoms, 3307 bonds, 437 residues, 2 models selected
> select clear
> select #1#2.1@@bfactor<4.28000020980835 | @@bfactor>49.999999999999986
3261 atoms, 3307 bonds, 437 residues, 2 models selected
> select #1#2.1@@bfactor<4.28000020980835 | @@bfactor>60.0
3194 atoms, 3263 bonds, 417 residues, 2 models selected
> select clear
> select #1#2.1@@bfactor<4.28000020980835 | @@bfactor>60.0
3194 atoms, 3263 bonds, 417 residues, 2 models selected
> select subtract #1
52 atoms, 29 bonds, 21 residues, 1 model selected
> select add #1
3194 atoms, 3263 bonds, 417 residues, 2 models selected
> select subtract #1
52 atoms, 29 bonds, 21 residues, 1 model selected
> select add #1
3194 atoms, 3263 bonds, 417 residues, 2 models selected
> select subtract #1
52 atoms, 29 bonds, 21 residues, 1 model selected
> select add #2
3142 atoms, 3234 bonds, 396 residues, 2 models selected
> select subtract #2
Nothing selected
> combine #1#2.1 unpruned
Expected a keyword
> combine #1#2.1 name unpruned
Remapping chain ID 'A' in X-ray_red_phaser.1.pdb 0 1 0 sym 11 #2.1 to 'C'
Remapping chain ID 'B' in X-ray_red_phaser.1.pdb 0 1 0 sym 11 #2.1 to 'D'
> combine #1#2.1 name pruned
Remapping chain ID 'A' in X-ray_red_phaser.1.pdb 0 1 0 sym 11 #2.1 to 'C'
Remapping chain ID 'B' in X-ray_red_phaser.1.pdb 0 1 0 sym 11 #2.1 to 'D'
> select #4@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select add #1
3402 atoms, 3379 bonds, 501 residues, 4 models selected
> select subtract #1
260 atoms, 145 bonds, 105 residues, 3 models selected
> select add #3
6440 atoms, 6555 bonds, 855 residues, 3 models selected
> select add #2
9530 atoms, 9760 bonds, 1230 residues, 4 models selected
> select subtract #2
6388 atoms, 6526 bonds, 834 residues, 2 models selected
> select subtract #3
104 atoms, 58 bonds, 42 residues, 1 model selected
> select #4@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select clear
> hide #1 models
> hide #!2 models
> hide #3 models
> select #4@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> hide #4 models
> show #3 models
> hide #3 models
> show #4 models
> hide #4 models
> show #3 models
> hide #3 models
> show #4 models
> select #1@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select #1@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select #2.1@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select clear
> select #1@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> select #2.1@@bfactor<4.28000020980835 | @@bfactor>60.0
312 atoms, 174 bonds, 126 residues, 4 models selected
> hide #4 models
> show #1 models
> show #!2 models
> hide #!2 models
> hide #1 models
> show #!2 models
> hide #!2 models
> show #1 models
> show #!2 models
> select clear
> show #1#2.1 cartoons
> hide #1#2.1 atoms
> select #1/A:36
8 atoms, 7 bonds, 1 residue, 1 model selected
> select up
179 atoms, 182 bonds, 22 residues, 1 model selected
> select up
1571 atoms, 1617 bonds, 198 residues, 1 model selected
> select add #2.1/B:46
1580 atoms, 1625 bonds, 199 residues, 2 models selected
> select up
1750 atoms, 1799 bonds, 220 residues, 2 models selected
> select up
3142 atoms, 3234 bonds, 396 residues, 2 models selected
> select up
6284 atoms, 6468 bonds, 792 residues, 2 models selected
> select down
3142 atoms, 3234 bonds, 396 residues, 2 models selected
> select ~sel & ##selected
3142 atoms, 3234 bonds, 396 residues, 2 models selected
> delete atoms sel
> close #3-4
> combine #1#2.1 name unpruned
> combine #1#2.1 name pruned
> hide #1 models
> hide #!2 models
> hide #3 models
> select add #4
3142 atoms, 3234 bonds, 396 residues, 1 model selected
> hide sel cartoons
> show sel atoms
> select #4@@bfactor<4.28000020980835 | @@bfactor>60.0
156 atoms, 87 bonds, 63 residues, 4 models selected
> select #4@@bfactor<4.280 | #4@@bfactor>60.0
52 atoms, 29 bonds, 21 residues, 1 model selected
> select up
187 atoms, 168 bonds, 21 residues, 1 model selected
> select down
52 atoms, 29 bonds, 21 residues, 1 model selected
> select up
187 atoms, 168 bonds, 21 residues, 1 model selected
> delete atoms sel & sideonly
> select ~sel & ##selected
2955 atoms, 3066 bonds, 375 residues, 1 model selected
> select ~sel & ##selected
84 atoms, 65 bonds, 21 residues, 1 model selected
> select down
84 atoms, 65 bonds, 21 residues, 1 model selected
> select #4@@bfactor<4.28000020980835 | @@bfactor>60.0
116 atoms, 66 bonds, 47 residues, 4 models selected
> select #4@@bfactor<4.280 | #4@@bfactor>60.0
12 atoms, 8 bonds, 5 residues, 1 model selected
> select clear
> select #4@@bfactor<4.280 | #4@@bfactor>60.0
12 atoms, 8 bonds, 5 residues, 1 model selected
> select #4@@bfactor<4.280 | @@bfactor>60.0
116 atoms, 66 bonds, 47 residues, 4 models selected
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
> select #4@@bfactor<4.280 | #4@@bfactor>60.0
12 atoms, 8 bonds, 5 residues, 1 model selected
> select up
20 atoms, 17 bonds, 5 residues, 1 model selected
> delete atoms sel
> select #4@@bfactor<4.2800002098083505 | @@bfactor>34.080032360423665
920 atoms, 690 bonds, 249 residues, 4 models selected
> select #4@@bfactor<4.280 | #4@@bfactor>34.0
234 atoms, 164 bonds, 75 residues, 1 model selected
> select #4@@bfactor<4.280 | #4@@bfactor>35.0
213 atoms, 145 bonds, 71 residues, 1 model selected
> select #4@@bfactor<4.280 | #4@@bfactor>34.0
234 atoms, 164 bonds, 75 residues, 1 model selected
> select #4@@bfactor<4.280 | #4@@bfactor>35.0
213 atoms, 145 bonds, 71 residues, 1 model selected
> select #4@@bfactor<4.280 | #4@@bfactor>40.0
122 atoms, 73 bonds, 50 residues, 1 model selected
> select up
414 atoms, 378 bonds, 50 residues, 1 model selected
> select intersect sideonly
214 atoms, 170 bonds, 45 residues, 1 model selected
> select intersect #4@@bfactor<4.280 | #4@@bfactor>35
141 atoms, 96 bonds, 44 residues, 1 model selected
> select up
389 atoms, 354 bonds, 44 residues, 1 model selected
> select intersect #4@@bfactor<4.280 | #4@@bfactor>34 & sideonly
146 atoms, 102 bonds, 44 residues, 1 model selected
> delete atoms sel
> select #4@@bfactor>=50.5745447287054 & @@bfactor<=59.81094093129127
5 atoms, 2 bonds, 3 residues, 1 model selected
> select up
13 atoms, 10 bonds, 3 residues, 1 model selected
> delete atoms sel
> select #4/A:10@OD1
1 atom, 1 residue, 1 model selected
> select up
6 atoms, 4 bonds, 1 residue, 1 model selected
> select clear
> select #4/A:10@OD1
1 atom, 1 residue, 1 model selected
> delete atoms sel
> show #4 cartoons
> select clear
> select intersect #4@@neighbor=1
Nothing selected
> select intersect #4@@neighbors=1
Nothing selected
> select clear
[Repeated 1 time(s)]
> select #4/B:129@ND2
1 atom, 1 residue, 1 model selected
> ui tool show "Selection Inspector"
> select intersect #4@@bonds=1
Nothing selected
> select intersect #4@@bonds=2
Nothing selected
> ui tool show "Selection Inspector"
> select #4/B:129@ND2
1 atom, 1 residue, 1 model selected
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/cmd_line/tool.py", line 319, in execute
cmd.run(cmd_text)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3174, in run
prev_annos = self._process_positional_arguments()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2930, in
_process_positional_arguments
value, text = self._parse_arg(anno, text, session, False)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2784, in _parse_arg
value, replacement, rest = annotation.parse(text, session)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 1486, in parse
objects = aspec.evaluate(session)
^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1098, in evaluate
results = self._left_spec.evaluate(
^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1008, in evaluate
return self.find_matches(session, models, results, ordered,
add_implied=add_implied)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1011, in find_matches
self._specifier.find_matches(session, models, results, ordered,
add_implied=add_implied)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 455, in find_matches
model_spec.find_matches(session, model_list, results, ordered,
add_implied=add_implied)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 612, in find_matches
self.my_parts.find_matches(session, model_list, self.sub_parts, results,
ordered,
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 470, in find_matches
self._check(session, model_list, sub_parts, results, 0, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 490, in _check
self._check(session, match_list, sub_parts, results, i + 1, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 476, in _check
_add_model_parts(session, model, sub_parts, results, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 637, in _add_model_parts
chain_spec.find_selected_parts(model, atoms, num_atoms, my_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 572, in find_selected_parts
subpart.find_selected_parts(model, atoms, num_atoms, sub_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 572, in find_selected_parts
subpart.find_selected_parts(model, atoms, num_atoms, sub_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 561, in find_selected_parts
atoms = self._filter_parts(model, atoms, num_atoms)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 579, in _filter_parts
mask = model.atomspec_filter(self.Symbol, atoms, num_atoms,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 944, in atomspec_filter
return self._atomspec_filter_atom(atoms, num_atoms, parts, attrs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 1026, in _atomspec_filter_atom
selected = self._atomspec_attr_filter(atoms, selected, attrs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 979, in _atomspec_attr_filter
selected = [(selected[i] and choose(obj)) for i, obj in enumerate(objects)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 979, in <listcomp>
selected = [(selected[i] and choose(obj)) for i, obj in enumerate(objects)]
^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 928, in matcher
return op(v, attr_value)
^^^^^^^^^^^^^^^^^
TypeError: '>' not supported between instances of 'list' and 'int'
TypeError: '>' not supported between instances of 'list' and 'int'
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 928, in matcher
return op(v, attr_value)
^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/cmd_line/tool.py", line 319, in execute
cmd.run(cmd_text)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 3174, in run
prev_annos = self._process_positional_arguments()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2930, in
_process_positional_arguments
value, text = self._parse_arg(anno, text, session, False)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 2784, in _parse_arg
value, replacement, rest = annotation.parse(text, session)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/cli.py", line 1486, in parse
objects = aspec.evaluate(session)
^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1098, in evaluate
results = self._left_spec.evaluate(
^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1008, in evaluate
return self.find_matches(session, models, results, ordered,
add_implied=add_implied)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 1011, in find_matches
self._specifier.find_matches(session, models, results, ordered,
add_implied=add_implied)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 455, in find_matches
model_spec.find_matches(session, model_list, results, ordered,
add_implied=add_implied)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 612, in find_matches
self.my_parts.find_matches(session, model_list, self.sub_parts, results,
ordered,
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 470, in find_matches
self._check(session, model_list, sub_parts, results, 0, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 490, in _check
self._check(session, match_list, sub_parts, results, i + 1, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 476, in _check
_add_model_parts(session, model, sub_parts, results, ordered)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 637, in _add_model_parts
chain_spec.find_selected_parts(model, atoms, num_atoms, my_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 572, in find_selected_parts
subpart.find_selected_parts(model, atoms, num_atoms, sub_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 572, in find_selected_parts
subpart.find_selected_parts(model, atoms, num_atoms, sub_results)
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 561, in find_selected_parts
atoms = self._filter_parts(model, atoms, num_atoms)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 579, in _filter_parts
mask = model.atomspec_filter(self.Symbol, atoms, num_atoms,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 944, in atomspec_filter
return self._atomspec_filter_atom(atoms, num_atoms, parts, attrs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 1026, in _atomspec_filter_atom
selected = self._atomspec_attr_filter(atoms, selected, attrs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 979, in _atomspec_attr_filter
selected = [(selected[i] and choose(obj)) for i, obj in enumerate(objects)]
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/atomic/structure.py", line 979, in <listcomp>
selected = [(selected[i] and choose(obj)) for i, obj in enumerate(objects)]
^^^^^^^^^^^
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 928, in matcher
return op(v, attr_value)
^^^^^^^^^^^^^^^^^
TypeError: '>' not supported between instances of 'list' and 'int'
TypeError: '>' not supported between instances of 'list' and 'int'
File
"/Applications/ChimeraX-1.10.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-
packages/chimerax/core/commands/atomspec.py", line 928, in matcher
return op(v, attr_value)
^^^^^^^^^^^^^^^^^
See log for complete Python traceback.
> select intersect #4@@neighbor>1
Nothing selected
> select intersect #4@@num_bonds>1
Nothing selected
> select #4@@num_bonds>1
2045 atoms, 2136 bonds, 388 residues, 1 model selected
> select #4@@num_bonds=1
814 atoms, 388 residues, 1 model selected
> select #4@@num_bonds=0
Nothing selected
> show #4 atoms
> hide #4 cartoons
> select #4/A:132@CZ
1 atom, 1 residue, 1 model selected
> delete atoms sel
> select #4@@num_bonds=0
2 atoms, 1 residue, 1 model selected
> delete atoms sel
> save "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/dimer_[NAME].pdb" models #3-4
> split #4
Split pruned (#4) into 2 models
Chain information for pruned A #4.1
---
Chain | Description
A | No description available
Chain information for pruned B #4.2
---
Chain | Description
B | No description available
> save "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL
> Data/Jun_2026/Reduced/X-ray/phaser_7/[NAME]_monomer.pdb" models #4
> select #4@@bfactor<4.280 | @@bfactor>300.0
Nothing selected
> select #4@@bfactor<5 | @@bfactor>300.0
4 atoms, 4 residues, 1 model selected
> select #4@@bfactor<10 | @@bfactor>300.0
220 atoms, 136 bonds, 66 residues, 1 model selected
> select #4@@bfactor<10 | @@bfactor>50
456 atoms, 280 bonds, 148 residues, 4 models selected
> show #3 models
> hide #3 models
> show #1 models
> hide #1 models
> show #3 models
> hide sel & #3#4.1 cartoons
> show sel & #3#4.1 atoms
[Repeated 1 time(s)]
> show #!2 models
> show sel & #3#2.1#4.1 atoms
> show #1 models
> show sel atoms
> hide #!4 models
> hide #3 models
> show #3 models
> hide sel & #1,3#2.1 cartoons
[Repeated 1 time(s)]
> hide #!2 models
> hide #1 models
Drag select of 118 atoms, 355 residues, 72 bonds
> hide sel cartoons
> show sel atoms
> select clear
> hide #3 models
> show #3 models
> hide #3 models
> show #3 models
> select add #3
3142 atoms, 3234 bonds, 396 residues, 1 model selected
> show sel atoms
> select clear
> select #4@@bfactor<10 | @@bfactor>50
456 atoms, 280 bonds, 148 residues, 4 models selected
> hide #3 models
> show #!4 models
> show #3 models
> hide #3 models
> show #3 models
> hide #3 models
> select clear
> select #4(@@bfactor<10 | @@bfactor>50)
Expected an objects specifier or a keyword
> select #4 @@bfactor<10 | @@bfactor>50
456 atoms, 280 bonds, 148 residues, 4 models selected
> select #4 (@@bfactor<10 | @@bfactor>50)
Expected a keyword
> select #4 [@@bfactor<10 | @@bfactor>50]
Expected a keyword
> help help:user
> select #4,@@bfactor<10 | @@bfactor>50
Expected an objects specifier or a keyword
> select #4 (@@bfactor<10 | @@bfactor>50)
Expected a keyword
> select #4 ((@@bfactor<10) | (@@bfactor>50))
Expected a keyword
> select #4 ((@@bfactor<10) | (@@bfactor>50))
Expected a keyword
> select #4((@@bfactor<10) | (@@bfactor>50))
Expected an objects specifier or a keyword
> select #4((@@bfactor<10) | @CA)
Expected an objects specifier or a keyword
> select #4(@@bfactor<10 | @CA)
Expected an objects specifier or a keyword
> select #4 @@bfactor<10 | @CA
1367 atoms, 176 bonds, 1180 residues, 5 models selected
> select #4 & (@@bfactor<10 | @CA)
575 atoms, 176 bonds, 388 residues, 2 models selected
> select #4 & @@bfactor<10 | @@bfactor>50
220 atoms, 136 bonds, 66 residues, 1 model selected
> select clear
> select #4 & @@bfactor<10 | @@bfactor>50
220 atoms, 136 bonds, 66 residues, 1 model selected
> select #4 @@bfactor<10 | @@bfactor>50
456 atoms, 280 bonds, 148 residues, 4 models selected
> select #4 & @@bfactor<10 | @@bfactor>50
220 atoms, 136 bonds, 66 residues, 1 model selected
> select #4&@@bfactor<10 | @@bfactor>50
220 atoms, 136 bonds, 66 residues, 1 model selected
> save "/Users/sir_mr_dog/Library/CloudStorage/OneDrive-
> UniversityofNebraskaMedicalCenter/Borgstahl Lab/ORNL Data/Jun_2026/selection
> bug demonstration.cxs"
——— End of log from Thu Aug 6 11:56:19 2026 ———
> view name session-start
opened ChimeraX session
> select #4@@bfactor<10 | @@bfactor>50
453 atoms, 277 bonds, 148 residues, 4 models selected
> select clear
> select #4&@@bfactor<10 | @@bfactor>50
220 atoms, 136 bonds, 66 residues, 1 model selected
> ui tool show "Render/Select by Attribute"
> select #4.1@@bfactor<5.0002015902859185 | @@bfactor>40.0
457 atoms, 319 bonds, 143 residues, 5 models selected
> show #3 models
> hide #!4 models
> show #!4 models
> hide #3 models
> show #3 models
> hide #!4 models
> show #!4 models
> select clear
> select #4&@@bfactor<5.0 | @@bfactor>40.0
13 atoms, 5 bonds, 9 residues, 2 models selected
OpenGL version: 4.1 Metal - 89.4
OpenGL renderer: Apple M4 Pro
OpenGL vendor: Apple
Python: 3.11.9
Locale: en_US.UTF-8
Qt version: PyQt6 6.10.2, Qt 6.10.0
Qt runtime version: 6.10.2
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: Mac16,7
Model Number: Z1FU000A9LL/A
Chip: Apple M4 Pro
Total Number of Cores: 14 (10 performance and 4 efficiency)
Memory: 48 GB
System Firmware Version: mBoot-18000.120.36
OS Loader Version: 11881.140.96.701.1
Software:
System Software Overview:
System Version: macOS 15.7.7 (24G720)
Kernel Version: Darwin 24.6.0
Time since boot: 20 days, 23 hours, 49 minutes
Graphics/Displays:
Apple M4 Pro:
Chipset Model: Apple M4 Pro
Type: GPU
Bus: Built-In
Total Number of Cores: 20
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina XDR Display
Resolution: 3456 x 2234 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
accessible-pygments: 0.0.5
aiohappyeyeballs: 2.6.2
aiohttp: 3.13.4
aiosignal: 1.4.0
alabaster: 1.0.0
annotated-types: 0.7.0
anyio: 4.13.0
appdirs: 1.4.4
appnope: 0.1.4
asttokens: 3.0.1
attrs: 26.1.0
babel: 2.18.0
beautifulsoup4: 4.13.5
blockdiag: 3.0.0
blosc2: 4.4.3
bs4: 0.0.2
build: 1.3.0
certifi: 2025.7.14
cftime: 1.6.5
charset-normalizer: 3.4.7
ChimeraX-AddCharge: 1.5.20
ChimeraX-AddH: 2.2.8
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.6.2
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 3.2
ChimeraX-AlphaFold: 1.0.1
ChimeraX-AltlocExplorer: 1.2
ChimeraX-AmberInfo: 1.0
ChimeraX-Animations: 1.0
ChimeraX-Aniso: 1.3.2
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.67.1
ChimeraX-AtomicLibrary: 14.4
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.3
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 3.0.0
ChimeraX-Boltz: 1.1
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.2
ChimeraX-BuildStructure: 2.13.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.6.0
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.4.1
ChimeraX-ChangeChains: 1.1
ChimeraX-CheckWaters: 1.5
ChimeraX-ChemGroup: 2.0.2
ChimeraX-Clashes: 2.4
ChimeraX-Cluster: 1.0
ChimeraX-ColorActions: 1.0.5
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.8
ChimeraX-CommandLine: 1.3.1
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.12
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.5
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.4
ChimeraX-Dicom: 1.2.7
ChimeraX-DistMonitor: 1.4.2
ChimeraX-DockPrep: 1.2.2
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: 1.4.1
ChimeraX-Hbonds: 2.5.3
ChimeraX-Help: 1.3
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.4
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-IUPAC: 1.0
ChimeraX-KVFinder: 1.8.2
ChimeraX-Label: 1.5
ChimeraX-LightingGUI: 1.0
ChimeraX-ListInfo: 1.3.1
ChimeraX-Log: 1.2.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.3
ChimeraX-Map: 1.3
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-MatchAlign: 1.2
ChimeraX-MatchMaker: 2.4.1
ChimeraX-MCopy: 1.0
ChimeraX-MCPServer: 0.2.0
ChimeraX-MDcrds: 2.19
ChimeraX-MedicalToolbar: 1.1
ChimeraX-Meeting: 1.0.1
ChimeraX-Minimize: 1.3.9
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.16
ChimeraX-MMTF: 2.2
ChimeraX-ModelArchive: 1.0
ChimeraX-Modeller: 1.5.23
ChimeraX-ModelPanel: 1.6.1
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: 1.0.1
ChimeraX-MutationScores: 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: 1.15.4
ChimeraX-OpenFold: 1.0
ChimeraX-OrthoPick: 1.0.1
ChimeraX-PDB: 2.7.13
ChimeraX-PDBBio: 1.0.1
ChimeraX-PDBLibrary: 1.0.5
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1.4
ChimeraX-ProfileGrids: 1.6
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.8.2
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.3.3
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 4.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.2
ChimeraX-Scenes: 0.3.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.3
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-Segmentations: 3.5.12
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.18
ChimeraX-Shape: 1.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.2.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-SimilarStructures: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SNFG: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.19.3
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: 2.5.3
ChimeraX-TapeMeasure: 1.0
ChimeraX-TaskManager: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.2.4
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.50.8
ChimeraX-Umap: 1.0
ChimeraX-uniprot: 2.3.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDock: 1.6.2
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: 1.1.5
ChimeraX-Zone: 1.0.1
click: 8.4.1
colorama: 0.4.6
comm: 0.2.3
contourpy: 1.3.3
coverage: 7.14.1
cxservices: 1.2.3
cycler: 0.12.1
Cython: 3.2.4
debugpy: 1.8.21
decorator: 5.3.1
docutils: 0.21.2
executing: 2.2.1
filelock: 3.19.1
fonttools: 4.63.0
frozenlist: 1.8.0
funcparserlib: 2.0.0a0
glfw: 2.10.0
grako: 3.16.5
h11: 0.16.0
h5py: 3.16.0
html2text: 2025.4.15
httpcore: 1.0.9
httpx: 0.28.1
httpx-sse: 0.4.3
idna: 3.18
ihm: 2.2
imagecodecs: 2024.6.1
imagesize: 2.0.0
iniconfig: 2.3.0
ipykernel: 7.1.0
ipython: 9.9.0
ipython_pygments_lexers: 1.1.1
jedi: 0.19.2
Jinja2: 3.1.6
jsonschema: 4.26.0
jsonschema-specifications: 2025.9.1
jupyter_client: 8.8.0
jupyter_core: 5.9.1
kiwisolver: 1.5.0
line_profiler: 5.0.0
lxml: 6.0.2
lz4: 4.3.2
Markdown: 3.8.2
MarkupSafe: 3.0.3
matplotlib: 3.10.7
matplotlib-inline: 0.2.2
mcp: 1.18.0
msgpack: 1.1.1
multidict: 6.7.1
narwhals: 2.22.1
ndindex: 1.10.1
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.14.1
numpy: 1.26.4
OpenMM: 8.4.0
openvr: 1.26.701
packaging: 25.0
ParmEd: 4.2.2
parso: 0.8.7
pep517: 0.13.1
pexpect: 4.9.0
pickleshare: 0.7.5
pillow: 11.3.0
pip: 25.2
pkginfo: 1.12.1.2
platformdirs: 4.10.0
plotly: 6.8.0
pluggy: 1.6.0
prompt_toolkit: 3.0.52
propcache: 0.5.2
psutil: 7.0.0
ptyprocess: 0.7.0
pure_eval: 0.2.3
py-cpuinfo: 9.0.0
pybind11: 3.0.1
pycollada: 0.8
pydantic: 2.13.4
pydantic-settings: 2.14.1
pydantic_core: 2.46.4
pydata-sphinx-theme: 0.18.0
pydicom: 2.4.4
Pygments: 2.18.0
pynmrstar: 3.5.1
pynrrd: 1.0.0
PyOpenGL: 3.1.10
PyOpenGL-accelerate: 3.1.10
pyopenxr: 1.1.4501
pyparsing: 3.3.2
pyproject_hooks: 1.2.0
PyQt6-commercial: 6.10.2
PyQt6-Qt6: 6.10.2
PyQt6-WebEngine-commercial: 6.10.0
PyQt6-WebEngine-Qt6: 6.10.2
PyQt6_sip: 13.10.3
pytest: 9.0.3
pytest-cov: 7.1.0
python-dateutil: 2.9.0.post0
python-dotenv: 1.2.2
python-multipart: 0.0.32
pyzmq: 27.1.0
qtconsole: 5.7.0
QtPy: 2.4.3
qtshim: 1.2.2
RandomWords: 0.4.0
referencing: 0.37.0
requests: 2.32.5
roman-numerals: 4.1.0
rpds-py: 2026.5.1
scipy: 1.14.0
setuptools: 80.9.0
sfftk-rw: 0.8.1
six: 1.17.0
snowballstemmer: 3.1.1
sortedcontainers: 2.4.0
soupsieve: 2.8.4
Sphinx: 9.0.4
sphinx-autodoc-typehints: 3.6.1
sphinxcontrib-applehelp: 2.0.0
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 2.0.0
sphinxcontrib-htmlhelp: 2.1.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 2.0.0
sphinxcontrib-serializinghtml: 2.0.0
sse-starlette: 3.4.4
stack-data: 0.6.3
starlette: 1.3.0
superqt: 0.7.6
tables: 3.10.2
tcia_utils: 3.2.1
threadpoolctl: 3.6.0
tifffile: 2025.3.13
tinyarray: 1.2.5
tornado: 6.5.7
tqdm: 4.68.2
traitlets: 5.14.3
typing-inspection: 0.4.2
typing_extensions: 4.15.0
Unidecode: 1.4.0
urllib3: 2.7.0
uvicorn: 0.49.0
wcwidth: 0.8.1
webcolors: 24.11.1
wheel: 0.45.1
wheel-filename: 1.4.2
yarl: 1.24.2
Change History (2)
comment:1 by , 5 hours ago
| Component: | Unassigned → Structure Analysis |
|---|---|
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
| Summary: | ChimeraX bug report submission → Render By Attribute generates wrong command |
comment:2 by , 4 hours ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Fixed it by adding parentheses to the command, which makes it clearer anyway. Fix will be in tomorrow's daily build.
Fix: https://github.com/RBVI/ChimeraX/commit/7f673b86a5c0cf7f271e3a59af8df0e3f391f61f
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Hi Miles,
--Eric