ISOLDE: unparameterized validation: 'NoneType' object has no attribute 'data'

[chimerax-bug-report@…]

The following bug report has been submitted:
Platform:        Windows-10-10.0.22621
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
AttributeError: 'NoneType' object has no attribute 'data'

File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in _fix_button_clicked_cb
data = item.data(0, USER_ROLE)

See log for complete Python traceback

Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open C:/Users/wucang/Desktop/MODEL/adbp/1/1RBD-coot-4.pdb

Chain information for 1RBD-coot-4.pdb #1  
---  
Chain | Description  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
  

> open C:/Users/wucang/Desktop/MODEL/adbp/1/1RBD.mrc

Opened 1RBD.mrc as #2, grid size 288,288,288, pixel 0.856, shown at level
0.0708, step 2, values float32  

> isolde start

> set selectionWidth 4

> isolde set simFidelityMode Highest/Slowest

ISOLDE: setting sim fidelity mode to Highest/Slowest  
nonbonded_cutoff_distance = 1.700000  
use_gbsa = True  
gbsa_cutoff = 2.000000  
Forcefield cache not found or out of date. Regenerating from ffXML files. This
is normal if running ISOLDE for the first time, or after upgrading OpenMM.  
Done loading forcefield  
ISOLDE: Checking and correcting nomenclature for (pseudo)symmetric side
chains...  
ISOLDE: Corrected atom nomenclature of 71 residues in model #1 to IUPAC-IUB
standards.  
Chain information for 1RBD-coot-4.pdb  
---  
Chain | Description  
1.2/B | No description available  
1.2/C | No description available  
1.2/D | No description available  
1.2/E | No description available  
  
Cached rota8000-val data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-leu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-ile data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-pro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-phe data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-tyr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-trp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-ser data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-thr data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-cys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-met data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-lys data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-his data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-arg data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-asp data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-asn data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-gln data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rota8000-glu data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-cispro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-transpro data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-gly-sym data not found. Regenerating from text file. This is
normal if running ISOLDE for the first time  
Cached rama8000-prepro-noGP data not found. Regenerating from text file. This
is normal if running ISOLDE for the first time  
Cached rama8000-ileval-nopreP data not found. Regenerating from text file.
This is normal if running ISOLDE for the first time  
Cached rama8000-general-noGPIVpreP data not found. Regenerating from text
file. This is normal if running ISOLDE for the first time  

> addh #1.2

Summary of feedback from adding hydrogens to 1RBD-coot-4.pdb #1.2  
---  
notes | Termini for 1RBD-coot-4.pdb (#1.2) chain B determined from SEQRES
records  
Termini for 1RBD-coot-4.pdb (#1.2) chain C determined from SEQRES records  
Termini for 1RBD-coot-4.pdb (#1.2) chain D determined from SEQRES records  
Termini for 1RBD-coot-4.pdb (#1.2) chain E determined from SEQRES records  
Chain-initial residues that are actual N termini: /B ASP 67, /C ALA 114, /D
ASP 20, /E THR 66  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini: /B CYS 217, /C ASN 495, /D ASN
495, /E CYS 217  
Chain-final residues that are not actual C termini:  
1034 hydrogen bonds  
9124 hydrogens added  
  
Traceback (most recent call last):  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
AttributeError: 'NoneType' object has no attribute 'data'  
  
AttributeError: 'NoneType' object has no attribute 'data'  
  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
AttributeError: 'NoneType' object has no attribute 'data'  
  
AttributeError: 'NoneType' object has no attribute 'data'  
  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
AttributeError: 'NoneType' object has no attribute 'data'  
  
AttributeError: 'NoneType' object has no attribute 'data'  
  
File "C:\Users\wucang\AppData\Local\UCSF\ChimeraX\1.6\site-
packages\chimerax\isolde\ui\validation_tab\unparameterised.py", line 176, in
_fix_button_clicked_cb  
data = item.data(0, USER_ROLE)  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 536.67
OpenGL renderer: NVIDIA GeForce RTX 3060 Laptop GPU/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation

Python: 3.9.11
Locale: zh_CN.cp936
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: windows

Manufacturer: LENOVO
Model: 82JQ
OS: Microsoft Windows 11 家庭中文版 (Build 22621)
Memory: 68,564,348,928
MaxProcessMemory: 137,438,953,344
CPU: 16 AMD Ryzen 7 5800H with Radeon Graphics         
OSLanguage: zh-CN

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[Tristan Croll]

Duplicate of #9107.