#2679 closed defect (fixed)
Rotamers wrong for moved structures
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| 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: Windows-10-10.0.17763 ChimeraX Version: 0.91 (2019-12-11) Description Occasionally, I get a strange behaviour with the Rotamers tool. I think it happens to molecules that I have moved using Translate Selected tool. When I select the different rotamers the side chain is placed in the position for where, I am pretty sure, the original residue was instead of the translated coordinates. As a result I get a rotamer with, e.g. 10 A CA-CB bond and the side chain far away from the molecule (see example on the attached image). I tested by moving the molecule a few times and changing the rotamer. Indeed, where the side chain is relative to the molecule (and CA-CB bond length) depends on how far I am from the original coordinates. OpenGL version: 3.3.0 NVIDIA 418.91 OpenGL renderer: GeForce RTX 2080 Ti/PCIe/SSE2 OpenGL vendor: NVIDIA Corporation File attachment: rotamer.png
Attachments (1)
Change History (4)
by , 6 years ago
| Attachment: | rotamer.png added |
|---|
comment:1 by , 6 years ago
| Owner: | set to |
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| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → accepted |
Hi Jozef,
Thanks for reporting the problem. I guess I didn't test Rotamers on models with non-identity transformation matrices. Will investigate.
--Eric
comment:2 by , 6 years ago
| Resolution: | → fixed |
|---|---|
| Status: | accepted → closed |
Okay, fixed now. Will be in tonight's build.
--Eric
comment:3 by , 6 years ago
| Component: | Unassigned → Structure Editing |
|---|---|
| Summary: | ChimeraX bug report submission → Rotamers wrong for moved structures |
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