ISOLDE: item.data is a method/function, not tuple

[chimerax-bug-report@…]

The following bug report has been submitted:
Platform:        Linux-5.8.0-55-generic-x86_64-with-debian-bullseye-sid
ChimeraX Version: 1.1 (2020-09-09 22:22:27 UTC)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 1.1 (2020-09-09)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open combined_6tt9_protein_3VD9_ligands-coot-1.pdb

Chain information for combined_6tt9_protein_3VD9_ligands-coot-1.pdb #1  
---  
Chain | Description  
A | No description available  
  

> open
> /mnt/6cb8c2c2-a663-49c3-9e56-34ca45ac69af/eyen_on_DATA/lacz_model_building/map/lacz_IPTG_master_pID_14376/extra/postprocess_masked.mrc

Opened postprocess_masked.mrc, grid size 440,440,440, pixel 0.822, shown at
level 0.004, step 2, values float32  

> volume #2 step 1

> volume #2 level 0.02063

> isolde start

> set selectionWidth 4

Chain information for combined_6tt9_protein_3VD9_ligands-coot-1.pdb  
---  
Chain | Description  
1.2/A | No description available  
  
Done loading forcefield  

> isolde restrain ligands #1

> select #1

8899 atoms, 8234 bonds, 6 pseudobonds, 1905 residues, 15 models selected  

> addh

Summary of feedback from adding hydrogens to
combined_6tt9_protein_3VD9_ligands-coot-1.pdb #1.2  
---  
warnings | Not adding hydrogens to /A LEU 11 CB because it is missing heavy-
atom bond partners  
Not adding hydrogens to /A GLN 12 CB because it is missing heavy-atom bond
partners  
Not adding hydrogens to /A GLU 75 CB because it is missing heavy-atom bond
partners  
Not adding hydrogens to /A GLU 80 CB because it is missing heavy-atom bond
partners  
Not adding hydrogens to /A GLU 131 CB because it is missing heavy-atom bond
partners  
16 messages similar to the above omitted  
notes | No usable SEQRES records for combined_6tt9_protein_3VD9_ligands-
coot-1.pdb (#1.2) chain A; guessing termini instead  
Chain-initial residues that are actual N termini: /A VAL 10  
Chain-initial residues that are not actual N termini: /A GLN 687, /A SER 690,
/A ALA 736  
Chain-final residues that are actual C termini:  
Chain-final residues that are not actual C termini: /A GLN 1022, /A GLU 684,
/A PRO 688, /A VAL 728  
3246 hydrogen bonds  
Adding 'H' to /A GLN 687  
Adding 'H' to /A SER 690  
Adding 'H' to /A ALA 736  
/A GLN 1022 is not terminus, removing H atom from 'C'  
9358 hydrogens added  
  
Fetching CCD GLU_LL_DHE2 from http://ligand-
expo.rcsb.org/reports/G/GLU_LL_DHE2/GLU_LL_DHE2.cif  
Fetching CCD GLU_LL from http://ligand-
expo.rcsb.org/reports/G/GLU_LL/GLU_LL.cif  
Fetching CCD GLU_LSN3_DHE2 from http://ligand-
expo.rcsb.org/reports/G/GLU_LSN3_DHE2/GLU_LSN3_DHE2.cif  
Fetching CCD GLU_LEO2_DHE2 from http://ligand-
expo.rcsb.org/reports/G/GLU_LEO2_DHE2/GLU_LEO2_DHE2.cif  
Fetching CCD GLU_LFZW_DHE2 from http://ligand-
expo.rcsb.org/reports/G/GLU_LFZW_DHE2/GLU_LFZW_DHE2.cif  
Fetching CCD GLN_LL from http://ligand-
expo.rcsb.org/reports/G/GLN_LL/GLN_LL.cif  
Fetching CCD NLG from http://ligand-expo.rcsb.org/reports/N/NLG/NLG.cif  
Fetching CCD GLN_LEO2 from http://ligand-
expo.rcsb.org/reports/G/GLN_LEO2/GLN_LEO2.cif  
Fetching CCD CGU from http://ligand-expo.rcsb.org/reports/C/CGU/CGU.cif  
Fetching CCD GLN_LFZW from http://ligand-
expo.rcsb.org/reports/G/GLN_LFZW/GLN_LFZW.cif  
Fetching CCD LYZ from http://ligand-expo.rcsb.org/reports/L/LYZ/LYZ.cif  
Fetching CCD NLQ from http://ligand-expo.rcsb.org/reports/N/NLQ/NLQ.cif  
Traceback (most recent call last):  
File "/home/david-buchta/.local/share/ChimeraX/1.1/site-
packages/chimerax/isolde/validation/unparameterised.py", line 174, in
_fix_selected_unparameterised_residue  
residue, template_name, ccd_template = item.data  
TypeError: cannot unpack non-iterable builtin_function_or_method object  
  
TypeError: cannot unpack non-iterable builtin_function_or_method object  
  
File "/home/david-buchta/.local/share/ChimeraX/1.1/site-
packages/chimerax/isolde/validation/unparameterised.py", line 174, in
_fix_selected_unparameterised_residue  
residue, template_name, ccd_template = item.data  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File "/home/david-buchta/.local/share/ChimeraX/1.1/site-
packages/chimerax/isolde/validation/unparameterised.py", line 174, in
_fix_selected_unparameterised_residue  
residue, template_name, ccd_template = item.data  
TypeError: cannot unpack non-iterable builtin_function_or_method object  
  
TypeError: cannot unpack non-iterable builtin_function_or_method object  
  
File "/home/david-buchta/.local/share/ChimeraX/1.1/site-
packages/chimerax/isolde/validation/unparameterised.py", line 174, in
_fix_selected_unparameterised_residue  
residue, template_name, ccd_template = item.data  
  
See log for complete Python traceback.  
  




OpenGL version: 3.3.0 NVIDIA 460.73.01
OpenGL renderer: GeForce GTX 1050 Ti/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: LENOVO
Model: 80WK
OS: Ubuntu 20.04 focal
Architecture: 64bit ELF
CPU: 8 Intel(R) Core(TM) i7-7700HQ CPU @ 2.80GHz
Cache Size: 6144 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:          7.7Gi       6.2Gi       206Mi       158Mi       1.2Gi       1.0Gi
	Swap:         2.0Gi       1.3Gi       677Mi

Graphics:
	00:02.0 VGA compatible controller [0300]: Intel Corporation HD Graphics 630 [8086:591b] (rev 04)	
	Subsystem: Lenovo HD Graphics 630 [17aa:39d1]	
	Kernel driver in use: i915
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.9
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[Tristan Croll]

Zombie ticket, long since fixed.