Opened 5 years ago
Closed 5 years ago
#3229 closed defect (invalid)
Atom names with underscores not parsed in commands
Reported by: | Owned by: | Tom Goddard | |
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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 , 5 years ago
Component: | Unassigned → Command Line |
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Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Atom names with underscores not parsed in commands |
comment:2 by , 5 years ago
Resolution: | → invalid |
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Status: | assigned → closed |
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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.