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: Eric Pettersen
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 Eric Pettersen, 7 years ago

Status: assigned → accepted

comment:2 by Eric Pettersen, 7 years ago

Resolution: → fixed
Status: accepted → closed

Thanks for finding this and supplying a fix. I've applied your fix to the code.

--Eric

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