Opened 7 years ago

Closed 7 years ago

#1403 closed enhancement (fixed)

AddH: skip falsely terminal heavy atoms of standard residues

Reported by: lpravda@… Owned by: Eric Pettersen
Priority: moderate Milestone:
Component: Structure Editing Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

For standard residues that are incomplete, skip protonation for atoms that are missing heavy-atom bond partners, both to avoid adding extra bogus protons, and to avoid geometry errors such as trying to find missing planar bond partners.

In 2q9k, ARG /A:127 is such a truncated residue.

Change History (3)

comment:1 by Eric Pettersen, 7 years ago

Also, 2iab ARG /A:71

comment:2 by Eric Pettersen, 7 years ago

Also, 3goh ARG /A:93

comment:3 by Eric Pettersen, 7 years ago

Resolution: → fixed
Status: assigned → closed

Fix available in next daily build

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