Opened 7 years ago
Closed 7 years ago
#1281 closed defect (fixed)
clashes failing to recognise H-bonds with explicit hydrogens
Reported by: | Tristan Croll | Owned by: | pett |
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Priority: | moderate | Milestone: | |
Component: | Structure Analysis | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
Easy fix. In clashes.py
, line 176:
if a.num_bonds > 0 and a.neighbors[0].element.name in negative:
should be:
if a.num_bonds > 0 and a.neighbors[0].element in negative:
Change History (2)
comment:1 by , 7 years ago
Status: | assigned → accepted |
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comment:2 by , 7 years ago
Resolution: | → fixed |
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Status: | accepted → closed |
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Thanks for finding this and supplying a fix. I've applied your fix to the code.
--Eric