Opened 2 years ago
Closed 2 years ago
#8893 closed defect (fixed)
antechamber: Bad CPU type in executable
Reported by: | Owned by: | pett | |
---|---|---|---|
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 , 2 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 , 2 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 , 2 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 , 2 years ago
Either in the installation notes, or catch the error and say what to do in a dialog.
comment:7 by , 2 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.