The following bug report has been submitted:
Platform: macOS-10.15.7-x86_64-i386-64bit
ChimeraX Version: 1.2.5 (2021-05-24 04:13:57 UTC)
Description
problem occur whille saving mrc file, no problem with the saving pdb
Traceback (most recent call last):
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output file",
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/dialog.py", line 51, in display
run(session, cmd)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/run.py", line 36, in run
results = command.run(text, log=log, return_json=return_json)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/cmd.py", line 87, in provider_save
provider_info.bundle_info.run_provider(session, provider_info.format_name,
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map/__init__.py", line 164, in save
save_map(session, path, _name, **kw)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map/volume.py", line 3974, in save_map
save_grid_data(grids, path, session, format_name, options)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map_data/fileformats.py", line 297, in save_grid_data
if matching_grid_path(glist, path):
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map_data/fileformats.py", line 340, in matching_grid_path
if realpath(gp) == rp:
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 392, in realpath
return abspath(path)
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 379, in abspath
cwd = os.getcwd()
FileNotFoundError: [Errno 2] No such file or directory
FileNotFoundError: [Errno 2] No such file or directory
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 379, in abspath
cwd = os.getcwd()
See log for complete Python traceback.
/Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc models #2
Unknown command: /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc models #2
save /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc models #2Traceback (most recent call last):
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/cmd_line/tool.py", line 280, in execute
cmd.run(cmd_text)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/save_command/cmd.py", line 87, in provider_save
provider_info.bundle_info.run_provider(session, provider_info.format_name,
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map/__init__.py", line 164, in save
save_map(session, path, _name, **kw)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map/volume.py", line 3974, in save_map
save_grid_data(grids, path, session, format_name, options)
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map_data/fileformats.py", line 297, in save_grid_data
if matching_grid_path(glist, path):
File "/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-packages/chimerax/map_data/fileformats.py", line 340, in matching_grid_path
if realpath(gp) == rp:
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 392, in realpath
return abspath(path)
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 379, in abspath
cwd = os.getcwd()
FileNotFoundError: [Errno 2] No such file or directory
FileNotFoundError: [Errno 2] No such file or directory
File "/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py", line 379, in abspath
cwd = os.getcwd()
See log for complete Python traceback.
Log:
UCSF ChimeraX version: 1.2.5 (2021-05-24)
© 2016-2021 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open
> /Users/irina.grishkovskaya/Downloads/cryosparc_P144_J2263_002_volume_map.mrc
Opened cryosparc_P144_J2263_002_volume_map.mrc as #1, grid size 480,480,480,
pixel 1.38, shown at level 0.263, step 2, values float32
> volume #1 step 1
> volume #1 level 0.2015
> volume flip #1 axis z
Opened cryosparc_P144_J2263_002_volume_map.mrc z flip as #2, grid size
480,480,480, pixel 1.38, shown at step 1, values float32
> volume #1 level 0.1625
> volume #1 level 0.2841
> volume #1 level 0.4057
> set bgColor white
> save
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/cryosparc_P144_J2263_flip.mrc
> models #2
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 51, in display
run(session, cmd)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/run.py", line 36, in run
results = command.run(text, log=log, return_json=return_json)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 87, in provider_save
provider_info.bundle_info.run_provider(session, provider_info.format_name,
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/__init__.py", line 164, in save
save_map(session, path, _name, **kw)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/volume.py", line 3974, in save_map
save_grid_data(grids, path, session, format_name, options)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 297, in save_grid_data
if matching_grid_path(glist, path):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 340, in matching_grid_path
if realpath(gp) == rp:
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 392, in realpath
return abspath(path)
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
FileNotFoundError: [Errno 2] No such file or directory
FileNotFoundError: [Errno 2] No such file or directory
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
See log for complete Python traceback.
> open
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/deepEMhancer_results/210803_coordinates/2108046n8k_widetargetDEv1in-
> coot-18.pdb
Summary of feedback from opening
/Users/irina.grishkovskaya/DRG1/Bud20/Krios/deepEMhancer_results/210803_coordinates/2108046n8k_widetargetDEv1in-
coot-18.pdb
---
warnings | End residue of secondary structure not found: HELIX 7 7 UNK s 170
UNK s 179 1 10
Start residue of secondary structure not found: HELIX 8 8 UNK s 181 UNK s 184
1 4
Start residue of secondary structure not found: HELIX 44 44 LEU b 358 LYS b
360 1 3
End residue of secondary structure not found: HELIX 117 117 GLU I 115 THR I
130 1 16
Start residue of secondary structure not found: HELIX 239 239 SER y 231 GLU y
242 1 12
Chain information for 2108046n8k_widetargetDEv1in-coot-18.pdb #3
---
Chain | Description
1 | No description available
2 | No description available
3 | No description available
4 | No description available
A | No description available
B | No description available
C | No description available
D | No description available
E | No description available
F | No description available
G | No description available
H | No description available
I | No description available
J | No description available
K | No description available
L | No description available
M | No description available
N | No description available
O | No description available
P | No description available
Q | No description available
R | No description available
S | No description available
T | No description available
U | No description available
V | No description available
W | No description available
X | No description available
Y | No description available
Z | No description available
a | No description available
b | No description available
c | No description available
d | No description available
e | No description available
f | No description available
g | No description available
h | No description available
i | No description available
j | No description available
k | No description available
l | No description available
o | No description available
p | No description available
q | No description available
r | No description available
s | No description available
u | No description available
v | No description available
y | No description available
z | No description available
> hide atoms
> show cartoons
> transparency 50
> volume #1 level 0.3133
> volume #1 level 0.01665
> volume #1 level 0.05
> volume #1 level 0.08
> volume #1 level 0.3426
> volume #1 level 0.5
> volume #1 level 0.7626
> open
> /Users/irina.grishkovskaya/DRG1/refinement/RealSpaceRefine_107/DRG1_refine_105-coot-1_real_space_refined_107.pdb
Chain information for DRG1_refine_105-coot-1_real_space_refined_107.pdb #4
---
Chain | Description
A | No description available
B | No description available
C | No description available
D | No description available
E | No description available
F | No description available
G | No description available
> hide atoms
> show cartoons
> select #4
32997 atoms, 33569 bonds, 18 pseudobonds, 4276 residues, 2 models selected
> ui mousemode right "translate selected models"
> ui mousemode right translate
> hide #!1 models
> hide #!2 models
> hide #!3 models
> show #!1 models
> show #!2 models
> show #!3 models
> select up
32997 atoms, 33569 bonds, 18 pseudobonds, 4276 residues, 2 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> select up
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 7 models selected
> ~select #1
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 5 models selected
> ~select #2
176933 atoms, 187894 bonds, 18 pseudobonds, 16321 residues, 3 models selected
> select #3
143936 atoms, 154325 bonds, 5 pseudobonds, 12045 residues, 2 models selected
> ~select #3
Nothing selected
> select #4
32997 atoms, 33569 bonds, 18 pseudobonds, 4276 residues, 2 models selected
> ui mousemode right "translate selected models"
> view matrix models #4,1,0,0,293.9,0,1,0,303.38,0,0,1,237.15
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.99339,-0.031618,-0.11034,314.43,-0.021212,0.89418,-0.44721,382.73,0.1128,0.4466,0.8876,175.02
> view matrix models
> #4,-0.13699,0.61646,-0.77538,474.34,-0.82664,0.36015,0.43238,447.85,0.5458,0.70019,0.46025,138.37
> view matrix models
> #4,-0.53811,0.8022,0.25866,361.91,-0.40768,-0.51631,0.75314,466.5,0.73772,0.29982,0.60487,147.08
> view matrix models
> #4,-0.014725,-0.93197,-0.36223,614.8,-0.97396,-0.068592,0.21607,557.7,-0.22622,0.35598,-0.9067,482.6
> view matrix models
> #4,0.44051,-0.55614,-0.70474,546.4,-0.16551,-0.82187,0.54511,503.72,-0.88236,-0.12348,-0.45409,578.24
> view matrix models
> #4,0.68532,0.12183,-0.71798,420.08,0.66217,-0.51458,0.54473,345.56,-0.30309,-0.84874,-0.43333,594.95
> view matrix models
> #4,0.99514,-0.073317,-0.06579,313.82,0.020067,-0.50299,0.86406,389.58,-0.096442,-0.86118,-0.49907,576.87
> view matrix models
> #4,0.99478,-0.07468,-0.069557,314.57,0.022447,-0.50476,0.86297,389.65,-0.099556,-0.86002,-0.50045,577.34
> view matrix models
> #4,0.88258,-0.20625,-0.42252,397.2,0.2146,-0.62287,0.75232,394.44,-0.41834,-0.75465,-0.50547,607.97
> view matrix models
> #4,0.77877,-0.23223,-0.58274,437.42,0.34826,-0.6126,0.70954,380.25,-0.52176,-0.75551,-0.3962,607.45
> view matrix models
> #4,0.97949,0.19468,-0.051991,276.96,0.1962,-0.98022,0.025863,546.8,-0.045927,-0.035533,-0.99831,524.31
> view matrix models
> #4,0.98426,0.17645,-0.0096685,272.98,0.17671,-0.98279,0.05385,546.02,-3.9982e-07,-0.054711,-0.9985,520.58
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.98426,0.17645,-0.0096685,255.63,0.17671,-0.98279,0.05385,546.06,-3.9982e-07,-0.054711,-0.9985,515.55
> view matrix models
> #4,0.98426,0.17645,-0.0096685,260.55,0.17671,-0.98279,0.05385,547.49,-3.9982e-07,-0.054711,-0.9985,518.03
> view matrix models
> #4,0.99514,0.091382,0.036657,264.42,0.093376,-0.994,-0.056971,575.98,0.031231,0.060117,-0.9977,497.64
> ~select #4
Nothing selected
> select #4
32997 atoms, 33569 bonds, 18 pseudobonds, 4276 residues, 2 models selected
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.95478,0.27638,0.10959,234.36,0.24497,-0.94018,0.23676,506.8,0.16846,-0.19921,-0.96537,509.94
> view matrix models
> #4,0.99171,-0.042032,-0.12142,305.21,-0.056676,-0.99118,-0.11979,605.23,-0.11531,0.12568,-0.98535,507.32
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.99171,-0.042032,-0.12142,304.59,-0.056676,-0.99118,-0.11979,605.01,-0.11531,0.12568,-0.98535,506.66
> ui mousemode right translate
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.99171,-0.042032,-0.12142,359.47,-0.056676,-0.99118,-0.11979,652.22,-0.11531,0.12568,-0.98535,516.95
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.96814,0.17115,-0.18278,341.69,0.21016,-0.95225,0.22147,562.45,-0.13615,-0.25283,-0.95788,568.52
> view matrix models
> #4,0.89033,-0.44312,-0.10468,426.91,0.23927,0.65094,-0.72044,466.23,0.38738,0.61638,0.68557,148.09
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.89033,-0.44312,-0.10468,362.33,0.23927,0.65094,-0.72044,437.09,0.38738,0.61638,0.68557,152.87
> ui mousemode right translate
> ~select #4
Nothing selected
> ui tool show "Volume Viewer"
> ui tool show "Fit in Map"
Fit molecule 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) to map
cryosparc_P144_J2263_002_volume_map.mrc (#1) using 143936 atoms
average map value = 0.325, steps = 68
shifted from previous position = 1.08
rotated from previous position = 2.49 degrees
atoms outside contour = 125881, contour level = 0.76261
Position of 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) relative to
cryosparc_P144_J2263_002_volume_map.mrc (#1) coordinates:
Matrix rotation and translation
0.99919002 -0.01132363 0.03861454 -8.92170616
0.01195645 0.99979734 -0.01619664 0.75058976
-0.03842331 0.01664522 0.99912291 6.60465751
Axis 0.37783275 0.88629030 0.26782815
Axis point 173.27376536 0.00000000 225.51392121
Rotation angle (degrees) 2.49090756
Shift along axis -0.93675914
Fit molecule 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) to map
cryosparc_P144_J2263_002_volume_map.mrc (#1) using 143936 atoms
average map value = 0.325, steps = 40
shifted from previous position = 0.012
rotated from previous position = 0.00439 degrees
atoms outside contour = 125874, contour level = 0.76261
Position of 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) relative to
cryosparc_P144_J2263_002_volume_map.mrc (#1) coordinates:
Matrix rotation and translation
0.99919171 -0.01136655 0.03855810 -8.88665146
0.01199727 0.99979734 -0.01616587 0.73839814
-0.03836654 0.01661540 0.99912559 6.59176319
Axis 0.37757322 0.88601453 0.26910353
Axis point 173.18551761 0.00000000 225.02471942
Rotation angle (degrees) 2.48801927
Shift along axis -0.92726337
> select #4
32997 atoms, 33569 bonds, 18 pseudobonds, 4276 residues, 2 models selected
> ui mousemode right zoom
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.89033,-0.44312,-0.10468,376.2,0.23927,0.65094,-0.72044,426.44,0.38738,0.61638,0.68557,147.83
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.70858,-0.37826,0.59568,295.93,0.65079,0.023998,-0.75888,461.13,0.27276,0.92539,0.26317,179.33
> view matrix models
> #4,0.96289,-0.22263,0.15255,300,0.22664,0.36015,-0.90495,493.96,0.14653,0.90594,0.39724,181.16
> view matrix models
> #4,0.85579,-0.4859,0.17753,348,0.328,0.24427,-0.91255,496.91,0.40004,0.83919,0.36842,158.97
> ui mousemode right "translate selected models"
> view matrix models
> #4,0.85579,-0.4859,0.17753,348.37,0.328,0.24427,-0.91255,499.36,0.40004,0.83919,0.36842,159.36
> ui mousemode right "rotate selected models"
> view matrix models
> #4,0.91478,-0.40278,0.03057,348.89,0.18994,0.36212,-0.91258,502.32,0.3565,0.84062,0.40776,159.81
> ~select #4
Nothing selected
Fit molecule 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) to map
cryosparc_P144_J2263_002_volume_map.mrc (#1) using 143936 atoms
average map value = 0.325, steps = 44
shifted from previous position = 0.00964
rotated from previous position = 0.00246 degrees
atoms outside contour = 125871, contour level = 0.76261
Position of 2108046n8k_widetargetDEv1in-coot-18.pdb (#3) relative to
cryosparc_P144_J2263_002_volume_map.mrc (#1) coordinates:
Matrix rotation and translation
0.99919166 -0.01133239 0.03856944 -8.90422619
0.01196423 0.99979734 -0.01619065 0.76624848
-0.03837814 0.01663901 0.99912475 6.58637871
Axis 0.37804109 0.88606903 0.26826594
Axis point 172.90904166 0.00000000 225.46553009
Rotation angle (degrees) 2.48860878
Shift along axis -0.92031319
> save
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/DRG1_fit_JJ2263_P144.pdb
> models #4 relModel #2
> save
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc
> models #2
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 116, in <lambda>
lambda *args, ses=session: show_save_file_dialog(ses), tool_tip="Save output
file",
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 127, in show_save_file_dialog
_dlg.display(session, **kw)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/dialog.py", line 51, in display
run(session, cmd)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/run.py", line 36, in run
results = command.run(text, log=log, return_json=return_json)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 87, in provider_save
provider_info.bundle_info.run_provider(session, provider_info.format_name,
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/__init__.py", line 164, in save
save_map(session, path, _name, **kw)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/volume.py", line 3974, in save_map
save_grid_data(grids, path, session, format_name, options)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 297, in save_grid_data
if matching_grid_path(glist, path):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 340, in matching_grid_path
if realpath(gp) == rp:
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 392, in realpath
return abspath(path)
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
FileNotFoundError: [Errno 2] No such file or directory
FileNotFoundError: [Errno 2] No such file or directory
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
See log for complete Python traceback.
>
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc
> models #2
Unknown command:
/Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc
models #2
> save
> /Users/irina.grishkovskaya/DRG1/Bud20/Krios/210812_Buds20_J2263/cryosparc_P144_J2263_flip.mrc
> models #2
Traceback (most recent call last):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/cmd_line/tool.py", line 280, in execute
cmd.run(cmd_text)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 75, in cmd_save
Command(session, registry=registry).run(provider_cmd_text, log=log)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/core/commands/cli.py", line 2852, in run
result = ci.function(session, **kw_args)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/save_command/cmd.py", line 87, in provider_save
provider_info.bundle_info.run_provider(session, provider_info.format_name,
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/__init__.py", line 164, in save
save_map(session, path, _name, **kw)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map/volume.py", line 3974, in save_map
save_grid_data(grids, path, session, format_name, options)
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 297, in save_grid_data
if matching_grid_path(glist, path):
File
"/Applications/ChimeraX-1.2.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/site-
packages/chimerax/map_data/fileformats.py", line 340, in matching_grid_path
if realpath(gp) == rp:
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 392, in realpath
return abspath(path)
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
FileNotFoundError: [Errno 2] No such file or directory
FileNotFoundError: [Errno 2] No such file or directory
File
"/Applications/ChimeraX-1.2.5.app/Contents/MacOS/../Library/Frameworks/Python.framework/Versions/3.8/lib/python3.8/posixpath.py",
line 379, in abspath
cwd = os.getcwd()
See log for complete Python traceback.
OpenGL version: 4.1 ATI-3.10.19
OpenGL renderer: AMD Radeon Pro 560 OpenGL Engine
OpenGL vendor: ATI Technologies Inc.Hardware:
Hardware Overview:
Model Name: MacBook Pro
Model Identifier: MacBookPro14,3
Processor Name: Quad-Core Intel Core i7
Processor Speed: 2,9 GHz
Number of Processors: 1
Total Number of Cores: 4
L2 Cache (per Core): 256 KB
L3 Cache: 8 MB
Hyper-Threading Technology: Enabled
Memory: 16 GB
Boot ROM Version: 429.60.3.0.0
SMC Version (system): 2.45f4
Software:
System Software Overview:
System Version: macOS 10.15.7 (19H114)
Kernel Version: Darwin 19.6.0
Time since boot: 17:33
Graphics/Displays:
Intel HD Graphics 630:
Chipset Model: Intel HD Graphics 630
Type: GPU
Bus: Built-In
VRAM (Dynamic, Max): 1536 MB
Vendor: Intel
Device ID: 0x591b
Revision ID: 0x0004
Automatic Graphics Switching: Supported
gMux Version: 4.0.29 [3.2.8]
Metal: Supported, feature set macOS GPUFamily2 v1
Radeon Pro 560:
Chipset Model: Radeon Pro 560
Type: GPU
Bus: PCIe
PCIe Lane Width: x8
VRAM (Total): 4 GB
Vendor: AMD (0x1002)
Device ID: 0x67ef
Revision ID: 0x00c0
ROM Revision: 113-C980AJ-927
VBIOS Version: 113-C9801AU-A02
EFI Driver Version: 01.A0.927
Automatic Graphics Switching: Supported
gMux Version: 4.0.29 [3.2.8]
Metal: Supported, feature set macOS GPUFamily2 v1
Displays:
Color LCD:
Display Type: Built-In Retina LCD
Resolution: 2880 x 1800 Retina
Framebuffer Depth: 30-Bit Color (ARGB2101010)
Main Display: Yes
Mirror: Off
Online: Yes
Automatically Adjust Brightness: No
Connection Type: Internal
Locale: (None, 'UTF-8')
PyQt5 5.15.2, Qt 5.15.2
Installed Packages:
alabaster: 0.7.12
appdirs: 1.4.4
appnope: 0.1.2
Babel: 2.9.1
backcall: 0.2.0
blockdiag: 2.0.1
certifi: 2020.12.5
cftime: 1.5.0
chardet: 3.0.4
ChimeraX-AddCharge: 1.0.1
ChimeraX-AddH: 2.1.6
ChimeraX-AlignmentAlgorithms: 2.0
ChimeraX-AlignmentHdrs: 3.2
ChimeraX-AlignmentMatrices: 2.0
ChimeraX-Alignments: 2.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.0
ChimeraX-Atomic: 1.13.2
ChimeraX-AtomicLibrary: 3.1.3
ChimeraX-AtomSearch: 2.0
ChimeraX-AtomSearchLibrary: 1.0
ChimeraX-AxesPlanes: 2.0
ChimeraX-BasicActions: 1.1
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 1.1
ChimeraX-BondRot: 2.0
ChimeraX-BugReporter: 1.0
ChimeraX-BuildStructure: 2.5.2
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.1
ChimeraX-ButtonPanel: 1.0
ChimeraX-CageBuilder: 1.0
ChimeraX-CellPack: 1.0
ChimeraX-Centroids: 1.1
ChimeraX-ChemGroup: 2.0
ChimeraX-Clashes: 2.1
ChimeraX-ColorActions: 1.0
ChimeraX-ColorGlobe: 1.0
ChimeraX-ColorKey: 1.2.1
ChimeraX-CommandLine: 1.1.4
ChimeraX-ConnectStructure: 2.0
ChimeraX-Contacts: 1.0
ChimeraX-Core: 1.2.5
ChimeraX-CoreFormats: 1.0
ChimeraX-coulombic: 1.1.1
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0
ChimeraX-DataFormats: 1.1
ChimeraX-Dicom: 1.0
ChimeraX-DistMonitor: 1.1.3
ChimeraX-DistUI: 1.0
ChimeraX-Dssp: 2.0
ChimeraX-EMDB-SFF: 1.0
ChimeraX-ExperimentalCommands: 1.0
ChimeraX-FileHistory: 1.0
ChimeraX-FunctionKey: 1.0
ChimeraX-Geometry: 1.1
ChimeraX-gltf: 1.0
ChimeraX-Graphics: 1.0
ChimeraX-Hbonds: 2.1
ChimeraX-Help: 1.1
ChimeraX-HKCage: 1.3
ChimeraX-IHM: 1.0
ChimeraX-ImageFormats: 1.1
ChimeraX-IMOD: 1.0
ChimeraX-IO: 1.0.1
ChimeraX-Label: 1.0
ChimeraX-ListInfo: 1.1.1
ChimeraX-Log: 1.1.2
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.8.1
ChimeraX-Map: 1.0.2
ChimeraX-MapData: 2.0
ChimeraX-MapEraser: 1.0
ChimeraX-MapFilter: 2.0
ChimeraX-MapFit: 2.0
ChimeraX-MapSeries: 2.0
ChimeraX-Markers: 1.0
ChimeraX-Mask: 1.0
ChimeraX-MatchMaker: 1.2.1
ChimeraX-MDcrds: 2.2
ChimeraX-MedicalToolbar: 1.0.1
ChimeraX-Meeting: 1.0
ChimeraX-MLP: 1.1
ChimeraX-mmCIF: 2.3
ChimeraX-MMTF: 2.1
ChimeraX-Modeller: 1.0.1
ChimeraX-ModelPanel: 1.0.1
ChimeraX-ModelSeries: 1.0
ChimeraX-Mol2: 2.0
ChimeraX-Morph: 1.0
ChimeraX-MouseModes: 1.1
ChimeraX-Movie: 1.0
ChimeraX-Neuron: 1.0
ChimeraX-Nucleotides: 2.0.1
ChimeraX-OpenCommand: 1.5
ChimeraX-PDB: 2.4.1
ChimeraX-PDBBio: 1.0
ChimeraX-PDBLibrary: 1.0.1
ChimeraX-PDBMatrices: 1.0
ChimeraX-PickBlobs: 1.0
ChimeraX-Positions: 1.0
ChimeraX-PresetMgr: 1.0.1
ChimeraX-PubChem: 2.0.1
ChimeraX-ReadPbonds: 1.0
ChimeraX-Registration: 1.1
ChimeraX-RemoteControl: 1.0
ChimeraX-ResidueFit: 1.0
ChimeraX-RestServer: 1.1
ChimeraX-RNALayout: 1.0
ChimeraX-RotamerLibMgr: 2.0
ChimeraX-RotamerLibsDunbrack: 2.0
ChimeraX-RotamerLibsDynameomics: 2.0
ChimeraX-RotamerLibsRichardson: 2.0
ChimeraX-SaveCommand: 1.4
ChimeraX-SchemeMgr: 1.0
ChimeraX-SDF: 2.0
ChimeraX-Segger: 1.0
ChimeraX-Segment: 1.0
ChimeraX-SeqView: 2.3
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0
ChimeraX-Shortcuts: 1.0
ChimeraX-ShowAttr: 1.0
ChimeraX-ShowSequences: 1.0
ChimeraX-SideView: 1.0
ChimeraX-Smiles: 2.0.1
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.3.1
ChimeraX-STL: 1.0
ChimeraX-Storm: 1.0
ChimeraX-Struts: 1.0
ChimeraX-Surface: 1.0
ChimeraX-SwapAA: 2.0
ChimeraX-SwapRes: 2.1
ChimeraX-TapeMeasure: 1.0
ChimeraX-Test: 1.0
ChimeraX-Toolbar: 1.0.1
ChimeraX-ToolshedUtils: 1.2
ChimeraX-Tug: 1.0
ChimeraX-UI: 1.7.6
ChimeraX-uniprot: 2.1
ChimeraX-UnitCell: 1.0
ChimeraX-ViewDockX: 1.0
ChimeraX-Vive: 1.1
ChimeraX-VolumeMenu: 1.0
ChimeraX-VTK: 1.0
ChimeraX-WavefrontOBJ: 1.0
ChimeraX-WebCam: 1.0
ChimeraX-WebServices: 1.0
ChimeraX-Zone: 1.0
colorama: 0.4.3
comtypes: 1.1.7
cxservices: 1.0
cycler: 0.10.0
Cython: 0.29.21
decorator: 5.0.9
distlib: 0.3.1
docutils: 0.16
filelock: 3.0.12
funcparserlib: 0.3.6
grako: 3.16.5
h5py: 2.10.0
html2text: 2020.1.16
idna: 2.10
ihm: 0.17
imagecodecs: 2020.5.30
imagesize: 1.2.0
ipykernel: 5.3.4
ipython: 7.18.1
ipython-genutils: 0.2.0
jedi: 0.17.2
Jinja2: 2.11.2
jupyter-client: 6.1.7
jupyter-core: 4.7.1
kiwisolver: 1.3.1
line-profiler: 2.1.2
lxml: 4.6.2
lz4: 3.1.0
MarkupSafe: 2.0.1
matplotlib: 3.3.2
matplotlib-inline: 0.1.2
msgpack: 1.0.0
netCDF4: 1.5.4
networkx: 2.5
numexpr: 2.7.3
numpy: 1.19.2
numpydoc: 1.1.0
openvr: 1.14.1501
packaging: 20.9
ParmEd: 3.2.0
parso: 0.7.1
pexpect: 4.8.0
pickleshare: 0.7.5
Pillow: 7.2.0
pip: 21.0.1
pkginfo: 1.5.0.1
prompt-toolkit: 3.0.18
psutil: 5.7.2
ptyprocess: 0.7.0
pycollada: 0.7.1
pydicom: 2.0.0
Pygments: 2.7.1
PyOpenGL: 3.1.5
PyOpenGL-accelerate: 3.1.5
pyparsing: 2.4.7
PyQt5-commercial: 5.15.2
PyQt5-sip: 12.8.1
PyQtWebEngine-commercial: 5.15.2
python-dateutil: 2.8.1
pytz: 2021.1
pyzmq: 22.0.3
qtconsole: 4.7.7
QtPy: 1.9.0
RandomWords: 0.3.0
requests: 2.24.0
scipy: 1.5.2
setuptools: 50.3.2
sfftk-rw: 0.6.7.dev1
six: 1.15.0
snowballstemmer: 2.1.0
sortedcontainers: 2.2.2
Sphinx: 3.2.1
sphinxcontrib-applehelp: 1.0.2
sphinxcontrib-blockdiag: 2.0.0
sphinxcontrib-devhelp: 1.0.2
sphinxcontrib-htmlhelp: 2.0.0
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.3
sphinxcontrib-serializinghtml: 1.1.5
suds-jurko: 0.6
tables: 3.6.1
tifffile: 2020.9.3
tinyarray: 1.2.3
tornado: 6.1
traitlets: 5.0.5
urllib3: 1.25.11
wcwidth: 0.2.5
webcolors: 1.11.1
wheel: 0.36.0
wheel-filename: 1.3.0
You denied permission for ChimeraX to access the the Desktop folder. Even though you were not saving files to the desktop the saving code asked for the current working directory which is Desktop for ChimeraX and that failed. The simple solution is to allow ChimeraX to access the Desktop. You can change this setting using Mac system settings / Security & Privacy / Files & Folders / UCSF ChimeraX / Desktop Folder -> enable.
I have improved the code so it does not try to get the current working directory when saving the map. So the daily build will not give this error.