Opened 3 years ago
Closed 3 years ago
#8893 closed defect (fixed)
antechamber: Bad CPU type in executable
| Reported by: | Owned by: | Eric Pettersen | |
|---|---|---|---|
| Priority: | normal | Milestone: | |
| Component: | Build System | Version: | |
| Keywords: | Cc: | chimera-programmers | |
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
The following bug report has been submitted:
Platform: macOS-13.3.1-arm64-arm-64bit
ChimeraX Version: 1.6rc202304202331 (2023-04-20 23:31:10 UTC)
Description
(Describe the actions that caused this problem to occur here)
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
You can double click a model's Name or ID in the model panel to edit those
fields
UCSF ChimeraX version: 1.6rc202304202331 (2023-04-20)
© 2016-2023 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> cd /Users/jo_air/Documents/ChimeraX
Current working directory is: /Users/jo_air/Documents/ChimeraX
> open /Users/jo_air/Downloads/8d81.pdb
8d81.pdb title:
Cereblon~DDB1 bound to pomalidomide [more info...]
Chain information for 8d81.pdb #1
---
Chain | Description | UniProt
A | DNA damage-binding protein 1 | DDB1_HUMAN 1-699 706-1140
B | protein cereblon | CRBN_HUMAN 1-442
Non-standard residues in 8d81.pdb #1
---
Y70 — S-pomalidomide
ZN — zinc ion
> volume style surface
No volumes specified
> select
9248 atoms, 9433 bonds, 6 pseudobonds, 1200 residues, 3 models selected
> volume style surface
No volumes specified
> surface (#!1 & sel)
> transparency sel 50
> volume style mesh
No volumes specified
> volume style image
No volumes specified
> transparency sel 0
> transparency sel 50
> transparency sel 0
> volume showOutlineBox true
No volumes specified
> volume showOutlineBox true
No volumes specified
> volume style mesh
No volumes specified
> volume style mesh
No volumes specified
> volume style surface
No volumes specified
> volume hide
No volumes specified
> volume hide
No volumes specified
> transparency sel 50
> transparency sel 0
Color zone shortcut requires 1 displayed atomic model and 1 map, got 1 atomic
models, 0 maps.
> select /A
6290 atoms, 6404 bonds, 2 pseudobonds, 817 residues, 2 models selected
> coulombic sel
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/A GLU 27
/A ASP 99
/A ARG 114
/A ARG 129
/A ARG 147
/A LYS 153
/A GLN 186
/A LYS 204
/A LYS 208
/A GLN 209
/A ILE 237
/A LYS 287
/A GLU 288
/A GLU 289
/A GLN 290
/A MET 291
/A ASP 292
/A THR 294
/A VAL 295
/A LYS 298
/A ARG 369
/A GLN 370
/A LYS 709
/A LYS 769
/A LYS 823
/A SER 955
/A SER 981
/A GLU 1019
/A ASN 1111
/A ASP 1116
/A SER 1118
/A MET 1120
/A ARG 1122
/A GLU 1123
/A THR 1125
/A LYS 1131
Using Amber 20 recommended default charges and atom types for standard
residues
Coulombic values for 8d81.pdb_A SES surface #1.3: minimum, -19.27, mean -5.07,
maximum 10.26
To also show corresponding color key, enter the above coulombic command and
add key true
> coulombic sel
Coulombic values for 8d81.pdb_A SES surface #1.3: minimum, -19.27, mean -5.07,
maximum 10.26
To also show corresponding color key, enter the above coulombic command and
add key true
> rainbow sel
> color bfactor sel
6290 atoms, 817 residues, 1 surfaces, atom bfactor range 0 to 0
> color bfactor sel
6290 atoms, 817 residues, 1 surfaces, atom bfactor range 0 to 0
> select /A
6290 atoms, 6404 bonds, 2 pseudobonds, 817 residues, 2 models selected
> select /B
2958 atoms, 3029 bonds, 4 pseudobonds, 383 residues, 2 models selected
> color bfactor sel
2958 atoms, 383 residues, 1 surfaces, atom bfactor range 0 to 0
> coulombic sel
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/B ASN 45
/B ILE 46
/B ASP 63
/B GLU 65
/B GLU 66
/B HIS 68
/B ASP 75
/B ASP 76
/B GLN 86
/B MET 88
/B PRO 98
/B MET 109
/B LYS 116
/B ASN 127
/B VAL 128
/B GLN 129
/B GLU 130
/B ARG 131
/B GLU 132
/B GLU 146
/B ASP 149
/B PHE 150
/B GLU 153
/B LYS 166
/B GLN 183
/B GLU 216
/B ASN 267
/B LYS 269
/B ASP 292
/B LYS 317
/B LYS 324
/B GLN 325
/B GLN 327
/B GLU 328
/B LYS 364
/B LYS 392
/B LYS 413
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIS (net charge -3) with am1-bcc method
Running ANTECHAMBER command:
/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmpeqij19m8/ante.in.mol2 -fi
mol2 -o
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmpeqij19m8/ante.out.mol2 -fo
mol2 -c bcc -nc -3 -j 5 -s 2 -dr n
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/toolbar/tool.py", line 205, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/info.py", line 386, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/__init__.py", line 1289, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/__init__.py", line 52, in run_provider
shortcuts.run_provider(session, name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 1335, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 390, in try_shortcut
self.run_shortcut(keys)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 408, in run_shortcut
sc.run(self.session, status = self._enabled)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 327, in run
f(s)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 61, in func_plus_tip
func(cmd + " %s")(session)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 570, in run_expanded_command
run(session, cmd)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 513, in run
run_command(session, command, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/cmd.py", line 88, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/coulombic.py", line 99, in assign_charges
add_charges(session, charged_residues, method=charge_method, status=status,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 26, in add_charges
add_nonstandard_res_charges(session, res_list,
estimate_net_charge(res_list[0].atoms),
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 319, in
add_nonstandard_res_charges
nonstd_charge(session, tautomer_residues, net_charge, method, status=status)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 572, in nonstd_charge
ante_messages = Popen(command, stdin=PIPE, stdout=PIPE, stderr=STDOUT,
cwd=temp_dir, bufsize=1,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 951, in __init__
self._execute_child(args, executable, preexec_fn, close_fds,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
See log for complete Python traceback.
> undo
> coulombic sel
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/B ASN 45
/B ILE 46
/B ASP 63
/B GLU 65
/B GLU 66
/B HIS 68
/B ASP 75
/B ASP 76
/B GLN 86
/B MET 88
/B PRO 98
/B MET 109
/B LYS 116
/B ASN 127
/B VAL 128
/B GLN 129
/B GLU 130
/B ARG 131
/B GLU 132
/B GLU 146
/B ASP 149
/B PHE 150
/B GLU 153
/B LYS 166
/B GLN 183
/B GLU 216
/B ASN 267
/B LYS 269
/B ASP 292
/B LYS 317
/B LYS 324
/B GLN 325
/B GLN 327
/B GLU 328
/B LYS 364
/B LYS 392
/B LYS 413
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIS (net charge -3) with am1-bcc method
Running ANTECHAMBER command:
/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmp1oqqpiqj/ante.in.mol2 -fi
mol2 -o
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmp1oqqpiqj/ante.out.mol2 -fo
mol2 -c bcc -nc -3 -j 5 -s 2 -dr n
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/toolbar/tool.py", line 205, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/info.py", line 386, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/__init__.py", line 1289, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/__init__.py", line 52, in run_provider
shortcuts.run_provider(session, name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 1335, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 390, in try_shortcut
self.run_shortcut(keys)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 408, in run_shortcut
sc.run(self.session, status = self._enabled)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 327, in run
f(s)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 61, in func_plus_tip
func(cmd + " %s")(session)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 570, in run_expanded_command
run(session, cmd)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 513, in run
run_command(session, command, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/cmd.py", line 88, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/coulombic.py", line 99, in assign_charges
add_charges(session, charged_residues, method=charge_method, status=status,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 26, in add_charges
add_nonstandard_res_charges(session, res_list,
estimate_net_charge(res_list[0].atoms),
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 319, in
add_nonstandard_res_charges
nonstd_charge(session, tautomer_residues, net_charge, method, status=status)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 572, in nonstd_charge
ante_messages = Popen(command, stdin=PIPE, stdout=PIPE, stderr=STDOUT,
cwd=temp_dir, bufsize=1,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 951, in __init__
self._execute_child(args, executable, preexec_fn, close_fds,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
See log for complete Python traceback.
> mlp sel
Map values for surface "8d81.pdb_B SES surface": minimum -27.3, mean -3.266,
maximum 24.05
To also show corresponding color key, enter the above mlp command and add key
true
> select ::name="Y70"
20 atoms, 22 bonds, 1 residue, 1 model selected
> style sel ball
Changed 20 atom styles
> mlp sel
mlp: no amino acids specified
> show sel surfaces
> mlp sel
mlp: no amino acids specified
> mlp sel
mlp: no amino acids specified
> hide sel surfaces
> select /B
2958 atoms, 3029 bonds, 4 pseudobonds, 383 residues, 2 models selected
> style sel ball
Changed 2958 atom styles
> transparency (#!1 & sel) 40
> color (#!1 & sel) cornflower blue
> undo
> select /B
2958 atoms, 3029 bonds, 4 pseudobonds, 383 residues, 2 models selected
> color (#!1 & sel) cornflower blue
> undo
> select protein
9227 atoms, 9411 bonds, 2 pseudobonds, 1198 residues, 2 models selected
> color (#!1 & sel) cornflower blue
> transparency (#!1 & sel) 40
> color (#!1 & sel) byhetero
> undo
> hide sel surfaces
> select protein
9227 atoms, 9411 bonds, 2 pseudobonds, 1198 residues, 2 models selected
> color (#!1 & sel) byhetero
> select sideonly
4434 atoms, 3455 bonds, 1122 residues, 1 model selected
> select ~sel
4814 atoms, 4811 bonds, 2 pseudobonds, 1200 residues, 2 models selected
> cartoon hide (#!1 & sel)
> style sel sphere
Changed 4814 atom styles
> undo
> select ::name="Y70"
20 atoms, 22 bonds, 1 residue, 1 model selected
> color (#!1 & sel) light gray
> color (#!1 & sel) byhetero
> hbonds sel reveal true
The following atoms were skipped as donors/acceptors due to missing heavy-atom
bond partners: /B PRO 98 N
2 hydrogen bonds found
> interfaces select & ~solvent
Missing or invalid "atoms" argument: invalid atoms specifier
> select /B
2958 atoms, 3029 bonds, 6 pseudobonds, 383 residues, 3 models selected
> surface (#!1 & sel)
> mlp sel
Map values for surface "8d81.pdb_B SES surface": minimum -27.3, mean -3.266,
maximum 24.05
To also show corresponding color key, enter the above mlp command and add key
true
> transparency (#!1 & sel) 40
> select clear
> save /Users/jo_air/Desktop/image1.png supersample 3
> preset "molecular surfaces" "ghostly white"
Using preset: Molecular Surfaces / Ghostly White
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color white targ s trans 80
> preset "molecular surfaces" "atomic coloring (transparent)"
Using preset: Molecular Surfaces / Atomic Coloring (Transparent)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color fromatoms targ s trans 70
> preset "molecular surfaces" "atomic coloring (transparent)"
Using preset: Molecular Surfaces / Atomic Coloring (Transparent)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color fromatoms targ s trans 70
> preset "molecular surfaces" "chain id coloring (opaque)"
Using preset: Molecular Surfaces / Chain ID Coloring (Opaque)
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color bychain targ s trans 0
> preset "overall look" "publication 2 (depth-cued)"
Using preset: Overall Look / Publication 2 (Depth-Cued)
Preset expands to these ChimeraX commands:
set bg white
graphics silhouettes f
lighting depthCue t
> preset "molecular surfaces" "ghostly white"
Using preset: Molecular Surfaces / Ghostly White
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color white targ s trans 80
> preset "molecular surfaces" "ghostly white"
Using preset: Molecular Surfaces / Ghostly White
Changed 0 atom styles
Preset expands to these ChimeraX commands:
style (protein|nucleic|solvent) & @@draw_mode=0 stick
surface
color white targ s trans 80
> preset "initial styles" "original look"
Using preset: Initial Styles / Original Look
Preset implemented in Python; no expansion to individual ChimeraX commands
available.
> ui tool show "Selection Inspector"
> lighting soft
> lighting full
> lighting simple
> ui mousemode right clip
> undo
> ui mousemode right "map eraser"
Can only have one displayed volume when erasing
> ui mousemode right "pick blobs"
Color zone shortcut requires 1 displayed atomic model and 1 map, got 1 atomic
models, 0 maps.
> open /Users/jo_air/Downloads/8d81.pdb
8d81.pdb title:
Cereblon~DDB1 bound to pomalidomide [more info...]
Chain information for 8d81.pdb #3
---
Chain | Description | UniProt
A | DNA damage-binding protein 1 | DDB1_HUMAN 1-699 706-1140
B | protein cereblon | CRBN_HUMAN 1-442
Non-standard residues in 8d81.pdb #3
---
Y70 — S-pomalidomide
ZN — zinc ion
> close session
> open /Users/jo_air/Downloads/8d81.pdb format pdb
8d81.pdb title:
Cereblon~DDB1 bound to pomalidomide [more info...]
Chain information for 8d81.pdb #1
---
Chain | Description | UniProt
A | DNA damage-binding protein 1 | DDB1_HUMAN 1-699 706-1140
B | protein cereblon | CRBN_HUMAN 1-442
Non-standard residues in 8d81.pdb #1
---
Y70 — S-pomalidomide
ZN — zinc ion
> color byhetero
> color bychain
> color bypolymer
> coulombic
The following residues are missing heavy (non-hydrogen) atoms, which may
result in inaccurate electrostatics:
/A GLU 27
/A ASP 99
/A ARG 114
/A ARG 129
/A ARG 147
/A LYS 153
/A GLN 186
/A LYS 204
/A LYS 208
/A GLN 209
/A ILE 237
/A LYS 287
/A GLU 288
/A GLU 289
/A GLN 290
/A MET 291
/A ASP 292
/A THR 294
/A VAL 295
/A LYS 298
/A ARG 369
/A GLN 370
/A LYS 709
/A LYS 769
/A LYS 823
/A SER 955
/A SER 981
/A GLU 1019
/A ASN 1111
/A ASP 1116
/A SER 1118
/A MET 1120
/A ARG 1122
/A GLU 1123
/A THR 1125
/A LYS 1131
/B ASN 45
/B ILE 46
/B ASP 63
/B GLU 65
/B GLU 66
/B HIS 68
/B ASP 75
/B ASP 76
/B GLN 86
/B MET 88
/B PRO 98
/B MET 109
/B LYS 116
/B ASN 127
/B VAL 128
/B GLN 129
/B GLU 130
/B ARG 131
/B GLU 132
/B GLU 146
/B ASP 149
/B PHE 150
/B GLU 153
/B LYS 166
/B GLN 183
/B GLU 216
/B ASN 267
/B LYS 269
/B ASP 292
/B LYS 317
/B LYS 324
/B GLN 325
/B GLN 327
/B GLU 328
/B LYS 364
/B LYS 392
/B LYS 413
Using Amber 20 recommended default charges and atom types for standard
residues
Assigning partial charges to residue HIS (net charge -3) with am1-bcc method
Running ANTECHAMBER command:
/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber
-ek qm_theory='AM1', -i
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmpn4k89is7/ante.in.mol2 -fi
mol2 -o
/var/folders/rf/5nxwwkb11ysb9yxk85xpbv940000gn/T/tmpn4k89is7/ante.out.mol2 -fo
mol2 -c bcc -nc -3 -j 5 -s 2 -dr n
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/toolbar/tool.py", line 205, in callback
bundle_info.run_provider(session, name, session.toolbar,
display_name=display_name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/info.py", line 386, in run_provider
return api._api_caller.run_provider(api, session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/toolshed/__init__.py", line 1289, in run_provider
return cls._get_func(api, "run_provider")(session, name, mgr, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/__init__.py", line 52, in run_provider
shortcuts.run_provider(session, name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 1335, in run_provider
keyboard_shortcuts(session).try_shortcut(name)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 390, in try_shortcut
self.run_shortcut(keys)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 408, in run_shortcut
sc.run(self.session, status = self._enabled)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 327, in run
f(s)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 61, in func_plus_tip
func(cmd + " %s")(session)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 570, in run_expanded_command
run(session, cmd)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/shortcuts/shortcuts.py", line 513, in run
run_command(session, command, **kw)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/run.py", line 38, in run
results = command.run(text, log=log, return_json=return_json)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/core/commands/cli.py", line 2897, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/cmd.py", line 88, in cmd_coulombic
assign_charges(session, needs_assignment, his_scheme, charge_method,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/coulombic/coulombic.py", line 99, in assign_charges
add_charges(session, charged_residues, method=charge_method, status=status,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 26, in add_charges
add_nonstandard_res_charges(session, res_list,
estimate_net_charge(res_list[0].atoms),
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 319, in
add_nonstandard_res_charges
nonstd_charge(session, tautomer_residues, net_charge, method, status=status)
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-
packages/chimerax/add_charge/charge.py", line 572, in nonstd_charge
ante_messages = Popen(command, stdin=PIPE, stdout=PIPE, stderr=STDOUT,
cwd=temp_dir, bufsize=1,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 951, in __init__
self._execute_child(args, executable, preexec_fn, close_fds,
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
OSError: [Errno 86] Bad CPU type in executable:
'/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/bin/amber20/bin/antechamber'
File
"/Applications/ChimeraX-1.6-rc2023.04.20.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/subprocess.py",
line 1821, in _execute_child
raise child_exception_type(errno_num, err_msg, err_filename)
See log for complete Python traceback.
OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2
OpenGL vendor: Apple
Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: cocoa
Hardware:
Hardware Overview:
Model Name: MacBook Air
Model Identifier: Mac14,2
Model Number: Z161000GJY/A
Chip: Apple M2
Total Number of Cores: 8 (4 performance and 4 efficiency)
Memory: 16 GB
System Firmware Version: 8422.100.650
OS Loader Version: 8422.100.650
Software:
System Software Overview:
System Version: macOS 13.3.1 (22E261)
Kernel Version: Darwin 22.4.0
Time since boot: 4 hours, 6 minutes
Graphics/Displays:
Apple M2:
Chipset Model: Apple M2
Type: GPU
Bus: Built-In
Total Number of Cores: 10
Vendor: Apple (0x106b)
Metal Support: Metal 3
Displays:
Color LCD:
Display Type: Built-in Liquid Retina Display
Resolution: 2560 x 1664 Retina
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: Yes
Connection Type: Internal
Installed Packages:
alabaster: 0.7.13
appdirs: 1.4.4
appnope: 0.1.3
asttokens: 2.2.1
Babel: 2.12.1
backcall: 0.2.0
beautifulsoup4: 4.11.2
blockdiag: 3.0.0
build: 0.10.0
certifi: 2021.10.8
cftime: 1.6.2
charset-normalizer: 3.1.0
ChimeraX-AddCharge: 1.5.9
ChimeraX-AddH: 2.2.4
ChimeraX-AlignmentAlgorithms: 2.0.1
ChimeraX-AlignmentHdrs: 3.3.1
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.9.3
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.0.3
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.43.10
ChimeraX-AtomicLibrary: 10.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.3.2
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.1.2
ChimeraX-BondRot: 2.0.1
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.8
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.2
ChimeraX-ButtonPanel: 1.0.1
ChimeraX-CageBuilder: 1.0.1
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.3.2
ChimeraX-ChangeChains: 1.0.2
ChimeraX-CheckWaters: 1.3.1
ChimeraX-ChemGroup: 2.0.1
ChimeraX-Clashes: 2.2.4
ChimeraX-ColorActions: 1.0.3
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.5.3
ChimeraX-CommandLine: 1.2.5
ChimeraX-ConnectStructure: 2.0.1
ChimeraX-Contacts: 1.0.1
ChimeraX-Core: 1.6rc202304202331
ChimeraX-CoreFormats: 1.1
ChimeraX-coulombic: 1.4.2
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2
ChimeraX-DistMonitor: 1.4
ChimeraX-DockPrep: 1.1.1
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ESMFold: 1.0
ChimeraX-FileHistory: 1.0.1
ChimeraX-FunctionKey: 1.0.1
ChimeraX-Geometry: 1.3
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.1
ChimeraX-ImageFormats: 1.2
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-ItemsInspection: 1.0.1
ChimeraX-Label: 1.1.7
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.5
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.2
ChimeraX-Map: 1.1.4
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0.1
ChimeraX-MapFilter: 2.0.1
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.1.1
ChimeraX-Markers: 1.0.1
ChimeraX-Mask: 1.0.2
ChimeraX-MatchMaker: 2.0.12
ChimeraX-MDcrds: 2.6
ChimeraX-MedicalToolbar: 1.0.2
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.12
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.9
ChimeraX-ModelPanel: 1.3.7
ChimeraX-ModelSeries: 1.0.1
ChimeraX-Mol2: 2.0
ChimeraX-Mole: 1.0
ChimeraX-Morph: 1.0.2
ChimeraX-MouseModes: 1.2
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nifti: 1.0
ChimeraX-NRRD: 1.0
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.10.1
ChimeraX-PDB: 2.7.2
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.2
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0.1
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.1
ChimeraX-PubChem: 2.1
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 3.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.5.1
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0.1
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0.1
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.8.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.1
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.10.3
ChimeraX-STL: 1.0.1
ChimeraX-Storm: 1.0
ChimeraX-StructMeasure: 1.1.2
ChimeraX-Struts: 1.0.1
ChimeraX-Surface: 1.0.1
ChimeraX-SwapAA: 2.0.1
ChimeraX-SwapRes: 2.2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.1.2
ChimeraX-ToolshedUtils: 1.2.1
ChimeraX-Topography: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.28.4
ChimeraX-uniprot: 2.2.2
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.2
ChimeraX-VIPERdb: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0.1
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0.2
ChimeraX-WebServices: 1.1.1
ChimeraX-Zone: 1.0.1
colorama: 0.4.6
comm: 0.1.3
contourpy: 1.0.7
cxservices: 1.2.2
cycler: 0.11.0
Cython: 0.29.33
debugpy: 1.6.7
decorator: 5.1.1
docutils: 0.19
executing: 1.2.0
filelock: 3.9.0
fonttools: 4.39.3
funcparserlib: 1.0.1
grako: 3.16.5
h5py: 3.8.0
html2text: 2020.1.16
idna: 3.4
ihm: 0.35
imagecodecs: 2022.2.22
imagesize: 1.4.1
importlib-metadata: 6.6.0
ipykernel: 6.21.1
ipython: 8.10.0
ipython-genutils: 0.2.0
ipywidgets: 8.0.6
jedi: 0.18.2
Jinja2: 3.1.2
jupyter-client: 8.0.2
jupyter-core: 5.3.0
jupyterlab-widgets: 3.0.7
kiwisolver: 1.4.4
line-profiler: 4.0.2
lxml: 4.9.2
lz4: 4.3.2
MarkupSafe: 2.1.2
matplotlib: 3.6.3
matplotlib-inline: 0.1.6
msgpack: 1.0.4
nest-asyncio: 1.5.6
netCDF4: 1.6.2
networkx: 2.8.8
nibabel: 5.0.1
nptyping: 2.5.0
numexpr: 2.8.4
numpy: 1.23.5
openvr: 1.23.701
packaging: 21.3
ParmEd: 3.4.3
parso: 0.8.3
pep517: 0.13.0
pexpect: 4.8.0
pickleshare: 0.7.5
Pillow: 9.3.0
pip: 23.0
pkginfo: 1.9.6
platformdirs: 3.2.0
prompt-toolkit: 3.0.38
psutil: 5.9.4
ptyprocess: 0.7.0
pure-eval: 0.2.2
pycollada: 0.7.2
pydicom: 2.3.0
Pygments: 2.14.0
pynrrd: 1.0.0
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 3.0.9
pyproject-hooks: 1.0.0
PyQt6-commercial: 6.4.2
PyQt6-Qt6: 6.4.3
PyQt6-sip: 13.4.1
PyQt6-WebEngine-commercial: 6.4.0
PyQt6-WebEngine-Qt6: 6.4.3
python-dateutil: 2.8.2
pytz: 2023.3
pyzmq: 25.0.2
qtconsole: 5.4.0
QtPy: 2.3.1
RandomWords: 0.4.0
requests: 2.28.2
scipy: 1.9.3
setuptools: 67.4.0
setuptools-scm: 7.0.5
sfftk-rw: 0.7.3
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.4.1
sphinx: 6.1.3
sphinx-autodoc-typehints: 1.22
sphinxcontrib-applehelp: 1.0.4
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.1
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
stack-data: 0.6.2
tables: 3.7.0
tcia-utils: 1.2.0
tifffile: 2022.10.10
tinyarray: 1.2.4
tomli: 2.0.1
tornado: 6.3.1
traitlets: 5.9.0
typing-extensions: 4.5.0
tzdata: 2023.3
urllib3: 1.26.15
wcwidth: 0.2.6
webcolors: 1.12
wheel: 0.38.4
wheel-filename: 1.4.1
widgetsnbextension: 4.0.7
zipp: 3.15.0
Change History (7)
comment:1 by , 3 years ago
| Cc: | added |
|---|---|
| Component: | Unassigned → Build System |
| Owner: | set to |
| Platform: | → all |
| Project: | → ChimeraX |
| Status: | new → assigned |
| Summary: | ChimeraX bug report submission → antechamber: Bad CPU type in executable |
comment:3 by , 3 years ago
I've seen this on Linux when the 32-bit compatibility libraries weren't installed and tried to run a 32-bit binary. Is that possible on the mac?
comment:4 by , 3 years ago
I think you're on the right track. I think the real problem is that this user has never installed Rosetta, and the fact that ChimeraX is running the Intel antechamber as a subprocess isn't triggering the "you need to install Rosetta" dialog that comes up if you run an Intel binary directly. For reference, the user needs to run "softwareupdate --install-rosetta" in a terminal window.
Is this something we should put in the installation notes?
comment:5 by , 3 years ago
Either in the installation notes, or catch the error and say what to do in a dialog.
comment:7 by , 3 years ago
| Resolution: | → fixed |
|---|---|
| Status: | assigned → closed |
Exception now caught in both branches
Seems like the correct CPU type AFAICT. I downloaded both the 1.6 universal and ARM candidates onto Elaine's M! laptop and antechamber ran fine in both.