Opened 6 years ago

Closed 6 years ago

#2603 closed defect (fixed)

Fragmented surface after adding hydrogens

Reported by: goddard@… Owned by: Tom Goddard
Priority: normal Milestone:
Component: Surface Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-19.0.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-10-25)
Description
Fragmented surface after adding hydrogens.

Log:
UCSF ChimeraX version: 0.91 (2019-10-25)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/goddard/Downloads/ChimeraX/PDB/1a0m.cif

1a0m.cif title:  
1.1 angstrom crystal structure of A-conotoxin [TYR15]-epi [more info...]  
  
Chain information for 1a0m.cif #1  
---  
Chain | Description  
A B | α-conotoxin [TYR15]-epi  
  
Non-standard residues in 1a0m.cif #1  
---  
NH2 — amino group  
  

> surface

> addh

Summary of feedback from adding hydrogens to 1a0m.cif #1  
---  
warning | Not adding hydrogens to /A ARG 7 CB because it is missing heavy-atom
bond partners  
notes | Termini for 1a0m.cif (#1) chain A determined from SEQRES records  
Termini for 1a0m.cif (#1) chain B determined from SEQRES records  
Chain-initial residues that are actual N termini: /A GLY 1, /B GLY 1  
Chain-initial residues that are not actual N termini:  
Chain-final residues that are actual C termini: /A NH2 17, /B NH2 17  
Chain-final residues that are not actual C termini:  
107 hydrogen bonds  
271 hydrogens added  
  

> show surfaces

> save /Users/goddard/Desktop/image1.png supersample 3




OpenGL version: 4.1 ATI-3.2.24
OpenGL renderer: AMD Radeon Pro Vega 20 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.
File attachment: image1.png

image1.png

Attachments (1)

image1.png (263.4 KB ) - added by goddard@… 6 years ago.
Added by email2trac

Download all attachments as: .zip

Change History (3)

by goddard@…, 6 years ago

Attachment: image1.png added

Added by email2trac

comment:1 by Tom Goddard, 6 years ago

Component: UnassignedSurface
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionFragmented surface after adding hydrogens

comment:2 by Tom Goddard, 6 years ago

Resolution: fixed
Status: assignedclosed

Fixed.

The show command didn't properly handle the case where adding more atoms results in replacing the current surface, and it ended up asking to show only the surface for the added hydrogens.

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