Opened 6 years ago
Closed 6 years ago
#2793 closed defect (fixed)
Stick bond not circular
Reported by: | Owned by: | Tom Goddard | |
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Priority: | normal | Milestone: | |
Component: | Graphics | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.18362 ChimeraX Version: 0.92 (2020-02-03) Description Bond sticks are not circular when the bond is nearly on the z axis. I've attached a structure for acetone with the C-O bond almost on the z axis and an image for how it looks in my ChimeraX. Log: > cd C:\Users\normn/Desktop Current working directory is: C:\Users\normn\Desktop > toolshed show "Add to Personal Library" UCSF ChimeraX version: 0.92 (2020-02-03) © 2016-2020 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX Successfully installed 'ChimAARON-0.1-py3-none-any.whl' Looking in indexes: https://pypi.org/simple, https://cxtoolshed.rbvi.ucsf.edu/pypi/ Processing c:\users\normn\appdata\local\ucsf\chimerax\cache\0.92\installers\chimaaron-0.1-py3-none- any.whl Requirement already satisfied, skipping upgrade: ChimeraX-Core>=0.1 in c:\program files\chimerax\bin\lib\site-packages (from ChimAARON==0.1) (0.92) Requirement already satisfied, skipping upgrade: scipy in c:\program files\chimerax\bin\lib\site-packages (from ChimAARON==0.1) (1.4.1) Requirement already satisfied, skipping upgrade: numpy in c:\program files\chimerax\bin\lib\site-packages (from ChimAARON==0.1) (1.17.4+mkl) Installing collected packages: ChimAARON Attempting uninstall: ChimAARON Found existing installation: ChimAARON 0.1 Uninstalling ChimAARON-0.1: Successfully uninstalled ChimAARON-0.1 Successfully installed ChimAARON-0.1 Lock 2285563362760 acquired on C:\Users\normn\AppData\Local\UCSF\ChimeraX\Cache\0.92\toolshed\bundle_info.cache.lock Lock 2285563362760 released on C:\Users\normn\AppData\Local\UCSF\ChimeraX\Cache\0.92\toolshed\bundle_info.cache.lock WARNING: You are using pip version 20.0.1; however, version 20.0.2 is available. You should consider upgrading via the 'C:\Program Files\ChimeraX\bin\ChimeraX.exe -m pip install --upgrade pip' command. > open C:\Users\normn\Desktop\freq.log Opened C:\Users\normn\Desktop\freq.log as a log file > close > open C:\Users\normn\Desktop\freq.log Opened C:\Users\normn\Desktop\freq.log as a log file > toolshed show "Visualize Normal Modes" > toolshed show "Visualize Normal Modes" > close #1.1 > open C:/Users/normn/Desktop/acetone.xyz Opened C:/Users/normn/Desktop/acetone.xyz as a xyz file > tile > select #1/a:1@O1 1 atom, 1 model selected Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword > help trans > transparency sel 50 target a > transparency sel 100 target a > select #2/a:1@O1 1 atom, 1 model selected > transparency sel 100 target a > ~show #1 > ~select Nothing selected > help color Invalid "target" argument: Character 'o' is not an allowed target, must be one of acrsbpfl > color sel blue halfbond false > ~select Nothing selected > graphics silhouettes true > save image C:/Users/normn/Desktop/acetone.png width 787 height 522 > show #1 > open C:/Users/normn/Desktop/acetone.pdb Summary of feedback from opening C:/Users/normn/Desktop/acetone.pdb --- warnings | Ignored bad PDB record found on line 7 END Ignored bad PDB record found on line 14 END > tile > save session C:/Users/normn/Desktop/acetone.cxs > open C:/Users/normn/Desktop/acetone.cxs opened ChimeraX session OpenGL version: 3.3.0 NVIDIA 398.36 OpenGL renderer: GeForce 940M/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation File attachment: acetone.zip
Attachments (1)
Change History (3)
by , 6 years ago
Attachment: | acetone.zip added |
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comment:1 by , 6 years ago
Component: | Unassigned → Graphics |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Stick bond not circular |
comment:2 by , 6 years ago
Resolution: | → fixed |
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Status: | assigned → closed |
Fixed.
Bond drawing rotates a cylinder and when the bond points nearly exactly down it is 180 degree rotation and the rotation axis is degenerate (axis can be any direction in xy plane), and limited floating point precision led to a transform that flattened the cylinder. Changed code so cylinder is never rotated more than 90 degrees.
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