#975 closed enhancement (fixed)
Add "select" option to hbonds command
Reported by: | Elaine Meng | Owned by: | Eric Pettersen |
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Priority: | minor | Milestone: | |
Component: | Structure Analysis | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description (last modified by )
Add "select" option analogous to that in clashes/contacts (less crucial now that "hbondatoms" selector has been added, however)
Change History (8)
comment:1 by , 8 years ago
Status: | assigned → accepted |
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follow-up: 2 comment:2 by , 8 years ago
Oh, my bad… I’d taken the “batch” description straight from Chimera documentation. I will put it back into the ChimeraX docs with revisions as you just explained.
comment:3 by , 8 years ago
Description: | modified (diff) |
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Summary: | "hbond" options suggestions → Add "select" option to hbonds command |
comment:4 by , 5 years ago
Status: | accepted → feedback |
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Okay, added "select" keyword to the hbonds command. The question is, do we also put it in the tool GUI? And if so, where?
follow-up: 5 comment:5 by , 5 years ago
Clashes/Contacts has a separate section "Treatment of results" with: Select atoms Reveal atoms of interacting residues Assign atomic attribute... ...so possibly you could create an analogous section in the H-bonds dialog and move the "reveal" option there so that it contains (in either order): Select atoms Reveal atoms of H-bonding residues I might put it between the "Limit" and "Write" sections but I don't feel strongly. Also depends on whether you think adding a section would make the dialog too long and hideous.
comment:6 by , 5 years ago
Resolution: | → fixed |
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Status: | feedback → closed |
Okay, added the option to the GUI as suggested.
follow-up: 7 comment:7 by , 5 years ago
Changed my mind on the GUI, if it's not a giant pain I'd say to put Reveal back where it was and put Select atoms up in that same section right under it, instead of making a new section. Sorry. Willing to be convinced otherwise if you have an opinion.
follow-up: 8 comment:8 by , 5 years ago
Given our discussion, ignore the previous comment and stick with my initial suggestion as to the arrangement of the GUI. Thanks!
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Batch does in fact "do things" as is. Specifically, if batch is true then having a main atom spec that doesn't actually select any atoms will not produce an error, nor will having a 'restrict' atom spec that selects no atoms. Otherwise, those would produce/throw errors.
--Eric