Opened 6 years ago

Closed 6 years ago

#2500 closed defect (fixed)

hbonds saltOnly: 'list' object has no attribute 'elements'

Reported by: rjohnwingo@… Owned by: pett
Priority: normal Milestone:
Component: Structure Editing Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-18.6.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-08-24)
Description
used hbonds saltonly true command

Log:
UCSF ChimeraX version: 0.91 (2019-08-24)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/robertwingo/Dropbox/IU/Fall 2019/B530 - Macromolecular Struct &
Fxn/Problem Sets/PS2/PS2_protein.pdb"

PS2_protein.pdb title:  
Crystal structure of the zinc-dependent marr family transcriptional regulator
ADCR In the Zn(II)-bound state [more info...]  
  
Chain information for #1  
---  
Chain | Description  
A B | adc operon repressor ADCR  
  
Non-standard residues in #1  
---  
ZN — zinc ion  
  

> select /a

1233 atoms, 1080 bonds, 9 pseudobonds, 3 models selected  

> color /a "dark slate gray"

> color /B "slate gray"

> ~select /a

Nothing selected  

> set bgColor white

> select /b

1273 atoms, 1151 bonds, 9 pseudobonds, 2 models selected  

> hide sel cartoons

> ~select /b

Nothing selected  

> select /A:1-145

1065 atoms, 1080 bonds, 1 pseudobond, 2 models selected  

Missing or invalid "chains" argument: invalid chains specifier  

Missing or invalid "chains" argument: invalid chains specifier  

Unknown command: sequence /a  

> sequence chain /a

Alignment identifier is 1.A  

> ~select /a

Nothing selected  

> select /a :2-19

144 atoms, 144 bonds, 1 model selected  

> color /a :2-19 red

> color /a :37-48 red

> color /a :53-62 red

> color /a :64-78 red

> color /a :81-82 red

> color /a :81-82 green

> color /a :81-82 "light blue"

> color /a :81-82 blue

> color /a :96-97 blue

> color /a :101-124 red

> color /a :127-145 red

> ~select /a

Nothing selected  

> select /b

1273 atoms, 1151 bonds, 9 pseudobonds, 2 models selected  

> show sel cartoons

> color /b :2-19 red

> color /b :37-48 red

> color /b :53-62 red

> color /b :64-78 red

> color /b :81-82 blue

> color /b :81-83 blue

> sequence chain /b

Alignment identifier is 1.B  

> color /b :81-84 blue

> color /b :2-20 red

> color /b :37-51 red

> color /b :94-97 blue

> color /b :101-124 red

> color /b :127-146 red

> color /b :147-148 lime

> color /a :147-148 lime

> save /Users/robertwingo/Desktop/image1.png supersample 3

> ~select /a

Nothing selected  

> save /Users/robertwingo/Desktop/image2.png supersample 3

Unknown command: findhbond  

Unknown command: FindHBond  

> hbonds

1038 hydrogen bonds found  

> hbonds

1038 hydrogen bonds found  

> hbonds saltOnly true

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 254, in execute  
cmd.run(cmd_text)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2688, in run  
result = ci.function(session, **kw_args)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 92, in cmd_hbonds  
sb_donors, sb_acceptors = salt_preprocess(hbonds)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
AttributeError: 'list' object has no attribute 'elements'  
  
AttributeError: 'list' object has no attribute 'elements'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
  
See log for complete Python traceback.  
  

> ~select a

Expected an objects specifier or a keyword  

> ~select /a

Nothing selected  

Expected a keyword  

> ~hbonds

Missing "saltOnly" keyword's argument  

> hbonds saltOnly true

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 254, in execute  
cmd.run(cmd_text)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2688, in run  
result = ci.function(session, **kw_args)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 92, in cmd_hbonds  
sb_donors, sb_acceptors = salt_preprocess(hbonds)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
AttributeError: 'list' object has no attribute 'elements'  
  
AttributeError: 'list' object has no attribute 'elements'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
  
See log for complete Python traceback.  
  
Alignment identifier is 1  
Alignment identifier is 2  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 1666, in <lambda>  
dw.closeEvent = lambda e, tw=tool_window, mw=mw: mw.close_request(tw, e)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 549, in close_request  
tool_instance.delete()  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seq-view/tool.py", line 499, in delete  
self.alignment.detach_viewer(self)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 325, in detach_viewer  
self.session.alignments.destroy_alignment(self)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/manager.py", line 110, in destroy_alignment  
alignment._destroy()  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 498, in _destroy  
aseq.match_maps[sseq].mod_handler.remove()  
KeyError: <chimerax.atomic.molobject.Chain object at 0x126bba7d0>  
  
KeyError:  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 498, in _destroy  
aseq.match_maps[sseq].mod_handler.remove()  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 1666, in <lambda>  
dw.closeEvent = lambda e, tw=tool_window, mw=mw: mw.close_request(tw, e)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 549, in close_request  
tool_instance.delete()  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seq-view/tool.py", line 499, in delete  
self.alignment.detach_viewer(self)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 325, in detach_viewer  
self.session.alignments.destroy_alignment(self)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/manager.py", line 110, in destroy_alignment  
alignment._destroy()  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 498, in _destroy  
aseq.match_maps[sseq].mod_handler.remove()  
KeyError: <chimerax.atomic.molobject.Chain object at 0x126bba7d0>  
  
KeyError:  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/seqalign/alignment.py", line 498, in _destroy  
aseq.match_maps[sseq].mod_handler.remove()  
  
See log for complete Python traceback.  
  

> hbonds radius 3.9

1038 hydrogen bonds found  

> hbonds radius 4

1038 hydrogen bonds found  

> hbonds radius 10

1038 hydrogen bonds found  

> hbonds radius 0

1038 hydrogen bonds found  

> hbonds radius 1

1038 hydrogen bonds found  

Missing "radius" keyword's argument  

> hbonds radius 0

1038 hydrogen bonds found  

> hbonds

1038 hydrogen bonds found  

> hbonds saltOnly true

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 254, in execute  
cmd.run(cmd_text)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2688, in run  
result = ci.function(session, **kw_args)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 92, in cmd_hbonds  
sb_donors, sb_acceptors = salt_preprocess(hbonds)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
AttributeError: 'list' object has no attribute 'elements'  
  
AttributeError: 'list' object has no attribute 'elements'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
  
See log for complete Python traceback.  
  

> hbonds showDist true

1038 hydrogen bonds found  
Alignment identifier is 1  

> hbonds saltOnly true

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/cmd_line/tool.py", line 254, in execute  
cmd.run(cmd_text)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/core/commands/cli.py", line 2688, in run  
result = ci.function(session, **kw_args)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 92, in cmd_hbonds  
sb_donors, sb_acceptors = salt_preprocess(hbonds)  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
AttributeError: 'list' object has no attribute 'elements'  
  
AttributeError: 'list' object has no attribute 'elements'  
  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/atomic/hbonds/cmd.py", line 419, in salt_preprocess  
ne_has_protons = numpy.any(ne.neighbors.elements.numbers == 1)  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 INTEL-12.9.22
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics 640
OpenGL vendor: Intel Inc.

Change History (2)

comment:1 by pett, 6 years ago

Component: UnassignedStructure Editing
Owner: set to pett
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionhbonds saltOnly: 'list' object has no attribute 'elements'

comment:2 by pett, 6 years ago

Resolution: fixed
Status: acceptedclosed

Thanks for reporting this problem. It is fixed now and the fix will be in the next daily build, but it may be a day or two before the next daily build is available because we just switched our server hardware and are working on getting our build process functioning again. When it is available, the download page will list its date as October 15th (or later).

--Eric

Eric Pettersen
UCSF Computer Graphics Lab

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