Opened 7 years ago

Closed 7 years ago

#1115 closed defect (fixed)

H-bonds found between metal-ligating heteroatoms

Reported by: Elaine Meng Owned by: Eric Pettersen
Priority: major Milestone:
Component: Structure Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

Examples:

4hhb HEM in chains C and D
2mnr Mn-ligating oxygens

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

Now screens out h-bonds where the lone pair is already committed to metal ligation

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