Opened 5 years ago

Closed 5 years ago

#3595 closed defect (not a bug)

commas in hierarchy parsing

Reported by: Tristan Croll Owned by: pett
Priority: normal Milestone:
Component: Command Line Version:
Keywords: Cc: Tom Goddard
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Linux-3.10.0-1127.13.1.el7.x86_64-x86_64-with-centos-7.8.2003-Core
ChimeraX Version: 1.0 (2020-06-04 23:15:07 UTC)
Description
If I open 3io0 (single model) and 1pmx (NMR ensemble) then do "sel #1,2.1", only model #2.1 is actually selected. "sel #1|#2.1" selects both.

Log:
UCSF ChimeraX version: 1.0 (2020-06-04)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open 3io0 format mmcif fromDatabase pdb

3io0 title:  
Crystal structure of EtuB from Clostridium kluyveri [more info...]  
  
Chain information for 3io0 #1  
---  
Chain | Description  
A | EtuB protein  
  
3io0 mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
  

> open 1pmx

Summary of feedback from opening 1pmx fetched from pdb  
---  
warnings | Atom H1 is not in the residue template for GLY /A:1  
Atom H1 is not in the residue template for ARG /B:101  
  
1pmx title:  
Insulin-like growth factor-I bound to A phage-derived peptide [more info...]  
  
Chain information for 1pmx  
---  
Chain | Description  
2.1/A 2.2/A 2.3/A 2.4/A 2.5/A 2.6/A 2.7/A 2.8/A 2.9/A 2.10/A 2.11/A 2.12/A
2.13/A 2.14/A 2.15/A 2.16/A 2.17/A 2.18/A 2.19/A 2.20/A | Insulin-like growth
factor IB  
2.1/B 2.2/B 2.3/B 2.4/B 2.5/B 2.6/B 2.7/B 2.8/B 2.9/B 2.10/B 2.11/B 2.12/B
2.13/B 2.14/B 2.15/B 2.16/B 2.17/B 2.18/B 2.19/B 2.20/B | igf-1 antagonist
F1-1  
  

> select #1,2.1

1301 atoms, 1317 bonds, 1 model selected  

> select #1|#2.1

2959 atoms, 2997 bonds, 2 models selected  




OpenGL version: 3.3.0 NVIDIA 450.51.05
OpenGL renderer: TITAN Xp/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Manufacturer: Dell Inc.
Model: Precision T5600
OS: CentOS Linux 7 Core
Architecture: 64bit ELF
CPU: 32 Intel(R) Xeon(R) CPU E5-2687W 0 @ 3.10GHz
Cache Size: 20480 KB
Memory:
	              total        used        free      shared  buff/cache   available
	Mem:            62G        5.4G         48G        129M        8.7G         56G
	Swap:          4.9G          0B        4.9G

Graphics:
	03:00.0 VGA compatible controller [0300]: NVIDIA Corporation GP102 [TITAN Xp] [10de:1b02] (rev a1)	
	Subsystem: NVIDIA Corporation Device [10de:11df]	
	Kernel driver in use: nvidia
PyQt version: 5.12.3
Compiled Qt version: 5.12.4
Runtime Qt version: 5.12.8

Change History (2)

comment:1 by pett, 5 years ago

Cc: Tom Goddard added
Component: UnassignedCommand Line
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissioncommas in hierarchy parsing

comment:2 by pett, 5 years ago

Resolution: not a bug
Status: acceptedclosed

Hi Tristan,

That is just how hierarchy atom spec paring works. Commas are at the "same level" of the hierarchy and do not start a new spec. So "#1,​2.1" means #1.1 and #2.1, not #1 and #2.1. Similarly, "#3.1,2,5" means #3.1 #3.2, and #3.5, not #3.1, #2, and #5.
The (slightly) shorter way to write the spec you want is #1#2.1.

--Eric

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