Opened 5 years ago

Closed 5 years ago

#3229 closed defect (invalid)

Atom names with underscores not parsed in commands

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

Description

The following bug report has been submitted:
Platform:        Darwin-19.4.0-x86_64-i386-64bit
ChimeraX Version: 0.94 (2020-04-16)
Description
It seems that atom names with underscores are not allowed in parsing atom specs.  And yet ChimeraX reads in PDB files with such atom names.  This example I am looking at is a material science polymer so a bit weird.  But if commands can't parse underscores in atom names then we probably should give some extreme warning when opening such a file because it breaks all our commands.  Even ctrl-click to select an atom fails with a very cryptic error cdialog "Expected objects specifier or keyword" since the ctrl-click uses an equivalent command which uses the unparsable atom name.

Log:
Startup Messages  
---  
note | FYI: command is replacing existing command: "open"  
  
UCSF ChimeraX version: 0.94.dev202004160103 (2020-04-16)  
© 2016-2020 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/goddard/ucsf/people/luchinsky/polymers.pdb format pdb

Summary of feedback from opening
/Users/goddard/ucsf/people/luchinsky/polymers.pdb  
---  
warnings | Cannot find consistent set of bond orders for ring system
containing atom C_4 in residue **** :90  
Cannot find consistent set of bond orders for ring system containing atom C_4
in residue **** :53  
Cannot find consistent set of bond orders for ring system containing atom C_4
in residue **** :133  
  

> usage shape

Subcommands are:

  * shape boxPath
  * shape cone
  * shape cylinder
  * shape ellipsoid
  * shape icosahedron
  * shape rectangle
  * shape ribbon
  * shape sphere
  * shape triangle
  * shape tube

  

> usage shape rect

shape rectangle [width a number] [height a number] [widthDivisions
widthDivisions] [heightDivisions heightDivisions] [center center point]
[rotation rotation given by axis and angle (degrees) ax,ay,az,angle]
[qrotation rotation given by quaternion qw,qx,qy,qz] [coordinateSystem a
coordinate-system] [slab 1 or 2 floats] [divisions divisions] [color a color]
[mesh true or false] [name a text string] [modelId modelId]  
— create a rectangle model  
widthDivisions: an integer ≥ 1  
heightDivisions: an integer ≥ 1  
divisions: an integer ≥ 1  
modelId: a model id  

> shape rectangle width 60 height 140

> select clear

Expected an objects specifier or a keyword  




OpenGL version: 4.1 ATI-3.8.24
OpenGL renderer: AMD Radeon Pro Vega 20 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.

Change History (2)

comment:1 by Tom Goddard, 5 years ago

Component: UnassignedCommand Line
Owner: set to Tom Goddard
Platform: all
Project: ChimeraX
Status: newassigned
Summary: ChimeraX bug report submissionAtom names with underscores not parsed in commands

comment:2 by Tom Goddard, 5 years ago

Resolution: invalid
Status: assignedclosed

I'm going to rereport this with current ChimeraX build since this bug report did not show the command that caused the error while newer ChimeraX will show it.

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