Opened 9 years ago

Closed 8 years ago

#438 closed defect (wontfix)

PDBFixer doesn't add correct atoms

Reported by: Tom Goddard Owned by: Tom Goddard
Priority: major Milestone:
Component: MD/Ensemble Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

PDBFixer on 5jqf incorrectly adds a fourth hydrogen H to the first residue N that already has H1, H2, H3.

open 5jqf
addmissing #1
# Try tug mouse mode -> Template not found error.

PDBFixer fails to add a C-terminal OXT on residue 18 of 4axy.

Change History (1)

comment:1 by Tom Goddard, 8 years ago

Resolution: → wontfix
Status: new → closed

PDBFixer has many problems. Have taken it out of distributions. Eric has initial add hydrogen support using Amber Tools.

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