Opened 23 months ago
Closed 23 months ago
#10346 closed defect (duplicate)
Opening mmCIF file: MemoryError: not enough memory
Reported by: | Owned by: | Tom Goddard | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Volume Data | Version: | |
Keywords: | Cc: | Greg Couch | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: Windows-10-10.0.19045 ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC) Description (Describe the actions that caused this problem to occur here) Log: You can double click a model's Name or ID in the model panel to edit those fields UCSF ChimeraX version: 1.6.1 (2023-05-09) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J40_005_volume_map.mrc" Opened cryosparc_P1_J40_005_volume_map.mrc as #1, grid size 360,360,360, pixel 0.84, shown at level 0.0318, step 2, values float32 > surface dust #1 size 8.4 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J39_005_volume_map.mrc" Opened cryosparc_P1_J39_005_volume_map.mrc as #2, grid size 360,360,360, pixel 0.84, shown at level 0.0311, step 2, values float32 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J38_005_volume_map.mrc" Opened cryosparc_P1_J38_005_volume_map.mrc as #3, grid size 360,360,360, pixel 0.84, shown at level 0.0325, step 2, values float32 > hide #!1 models > hide #!2 models > hide #!3 models > show #!2 models > close session > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J91_006_volume_map.mrc" Opened cryosparc_P22_J91_006_volume_map.mrc as #1, grid size 320,320,320, pixel 0.84, shown at level 0.057, step 2, values float32 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J92_005_volume_map.mrc" Opened cryosparc_P22_J92_005_volume_map.mrc as #2, grid size 320,320,320, pixel 0.84, shown at level 0.0568, step 2, values float32 > hide #!1 models > show #!1 models > hide #!2 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J99_map_locres.mrc" Opened cryosparc_P22_J99_map_locres.mrc as #3, grid size 320,320,320, pixel 0.84, shown at level 6.27, step 2, values float32 > hide #!1 models > show #!2 models > hide #!3 models > ui tool show "Color Zone" > ui tool show "Surface Color" > key red-white-blue :0.0 :0.5 :1.0 showTool true > ui mousemode right "color key" > ui mousemode right translate > color sample #2.1 map #3 palette > 2,#0000ff:4,#00ffff:6,#00ff00:8,#ffff00:10,#ff0000 Map values for surface "surface": minimum 2.402, mean 3.482, maximum 42.14 > close session > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J104_005_volume_map.mrc" Opened cryosparc_P22_J104_005_volume_map.mrc as #1, grid size 320,320,320, pixel 0.84, shown at level 0.0585, step 2, values float32 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J105_005_volume_map.mrc" Opened cryosparc_P22_J105_005_volume_map.mrc as #2, grid size 320,320,320, pixel 0.84, shown at level 0.0551, step 2, values float32 > ui tool show Log > ui tool show "Model Panel" > ui tool show Toolbar > ui tool show "Model Panel" > ui tool show "Command Line Interface" > ui tool show "Model Panel" > select add #2 2 models selected > select subtract #2 Nothing selected > select add #1 2 models selected > ui mousemode right "rotate selected models" > view matrix models > #1,0.26272,-0.95442,0.14167,206.69,-0.95893,-0.27454,-0.071263,307.1,0.10691,-0.11713,-0.98735,264.62 > ui tool show "Fit in Map" > fitmap #1 inMap #2 Fit map cryosparc_P22_J104_005_volume_map.mrc in map cryosparc_P22_J105_005_volume_map.mrc using 40929 points correlation = 0.8032, correlation about mean = 0.384, overlap = 440.3 steps = 252, shift = 8.95, angle = 12.7 degrees Position of cryosparc_P22_J104_005_volume_map.mrc (#1) relative to cryosparc_P22_J105_005_volume_map.mrc (#2) coordinates: Matrix rotation and translation 0.45130353 -0.88482438 0.11580560 179.25250085 -0.89224710 -0.44958340 0.04206977 310.35903921 0.01483992 -0.12231344 -0.99238057 285.46061381 Axis -0.85147501 0.52298378 -0.03844836 Axis point 0.00000000 218.33670692 129.84739805 Rotation angle (degrees) 174.46069926 Shift along axis -1.29177527 > hide #!1 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J106_004_volume_map.mrc" Opened cryosparc_P22_J106_004_volume_map.mrc as #3, grid size 320,320,320, pixel 0.84, shown at level 0.0596, step 2, values float32 > hide #!3 models > close #3 > show #!1 models > hide #!1 models > hide #!2 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J62_005_volume_map.mrc" Opened cryosparc_P1_J62_005_volume_map.mrc as #3, grid size 360,360,360, pixel 0.84, shown at level 0.0322, step 2, values float32 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J62_005_volume_map_sharp.mrc" Opened cryosparc_P1_J62_005_volume_map_sharp.mrc as #4, grid size 360,360,360, pixel 0.84, shown at level 0.0504, step 2, values float32 > surface dust #3 size 8.4 > surface dust #4 size 8.4 > hide #!3 models > hide #!4 models > show #!3 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J63_map_sharp.mrc" Opened cryosparc_P1_J63_map_sharp.mrc as #5, grid size 360,360,360, pixel 0.84, shown at level 0.000164, step 2, values float32 > surface dust #3 size 8.4 > surface dust #5 size 8.4 > hide #!3 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J64_map_sharp.mrc" Opened cryosparc_P1_J64_map_sharp.mrc as #6, grid size 360,360,360, pixel 0.84, shown at level 0.00121, step 2, values float32 > surface dust #5 size 8.4 > surface dust #6 size 8.4 > hide #!5 models > hide #!6 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J58_005_volume_map.mrc" Opened cryosparc_P1_J58_005_volume_map.mrc as #7, grid size 360,360,360, pixel 0.84, shown at level 0.0311, step 2, values float32 > hide #!7 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J59_005_volume_map.mrc" Opened cryosparc_P1_J59_005_volume_map.mrc as #8, grid size 360,360,360, pixel 0.84, shown at level 0.0326, step 2, values float32 > hide #!8 models > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 200/cryosparc_P1_J60_005_volume_map.mrc" Opened cryosparc_P1_J60_005_volume_map.mrc as #9, grid size 360,360,360, pixel 0.84, shown at level 0.033, step 2, values float32 > open 27154 fromDatabase emdb Summary of feedback from opening 27154 fetched from emdb --- note | Fetching compressed map 27154 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-27154/map/emd_27154.map.gz Opened emdb 27154 as #10, grid size 320,320,320, pixel 0.85, shown at level 2.33, step 2, values float32 > hide #!9 models > surface dust #10 size 8.5 > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J91_006_volume_map.mrc" Opened cryosparc_P22_J91_006_volume_map.mrc as #11, grid size 320,320,320, pixel 0.84, shown at level 0.057, step 2, values float32 > select add #11 4 models selected > view matrix models > #1,-0.2284,-0.93949,-0.25532,324.73,-0.6588,-0.043946,0.75103,129.87,-0.71681,0.33974,-0.6089,266.3,#11,0.69864,0.61542,0.3649,-95.673,-0.17146,0.63917,-0.74971,176.25,-0.69462,0.46121,0.55207,90.081 > transparency #11.1 50 > view matrix models > #1,0.45596,0.8725,0.1756,-69.825,-0.87477,0.47569,-0.092127,199.36,-0.16391,-0.1116,0.98014,44.091,#11,-0.5459,-0.79171,-0.27421,352.02,-0.82636,0.56278,0.02026,167.04,0.13828,0.23766,-0.96146,220 > hide #!11 models > lighting soft > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/C# 196/cryosparc_P22_J108_map.mrc" Opened cryosparc_P22_J108_map.mrc as #12, grid size 320,320,320, pixel 0.84, shown at level 0.057, step 2, values float32 > select subtract #11 2 models selected > select add #12 4 models selected > view matrix models > #1,0.35032,0.93288,-0.08374,-31.612,-0.89478,0.3069,-0.3243,254.46,-0.27683,0.18854,0.94224,22.37,#12,0.95897,0.14503,-0.24361,17.177,-0.19716,0.9586,-0.20545,58.642,0.20373,0.24505,0.94786,-54.049 > ui tool show "Fit in Map" > fitmap #11 inMap #12 Fit map cryosparc_P22_J91_006_volume_map.mrc in map cryosparc_P22_J108_map.mrc using 40901 points correlation = 0.6163, correlation about mean = 0.1382, overlap = 289.7 steps = 268, shift = 10.1, angle = 26.4 degrees Position of cryosparc_P22_J91_006_volume_map.mrc (#11) relative to cryosparc_P22_J108_map.mrc (#12) coordinates: Matrix rotation and translation -0.48384433 -0.87094715 -0.08570720 325.08709214 -0.87108462 0.48871280 -0.04869678 190.58454522 0.08429853 0.05109656 -0.99512959 250.08083631 Axis 0.50622826 -0.86239925 -0.00069737 Axis point 211.31708307 0.00000000 134.27427468 Rotation angle (degrees) 174.34342513 Shift along axis 0.03390699 > view matrix models > #1,-0.055745,0.99725,-0.048845,8.5022,-0.87265,-0.072435,-0.48295,323.76,-0.48516,0.015702,0.87428,82.107,#12,0.83611,0.52765,-0.15003,-31.694,-0.5459,0.7734,-0.32224,145.66,-0.053995,0.35133,0.93469,-32.917 > ui mousemode right "translate selected models" > view matrix models > #1,-0.055745,0.99725,-0.048845,10.973,-0.87265,-0.072435,-0.48295,324.23,-0.48516,0.015702,0.87428,86.168,#12,0.83611,0.52765,-0.15003,-29.224,-0.5459,0.7734,-0.32224,146.13,-0.053995,0.35133,0.93469,-28.856 > fitmap #10 inMap #12 Fit map emdb 27154 in map cryosparc_P22_J108_map.mrc using 40937 points correlation = 0.7934, correlation about mean = 0.663, overlap = 1.438e+04 steps = 312, shift = 6.98, angle = 14.2 degrees Position of emdb 27154 (#10) relative to cryosparc_P22_J108_map.mrc (#12) coordinates: Matrix rotation and translation 0.91889112 -0.39439887 0.00941487 62.54787315 0.38506896 0.90183283 0.19600879 -70.20812229 -0.08579629 -0.17648537 0.98055694 31.95725946 Axis -0.42858274 0.10954764 0.89683675 Axis point 208.54473926 109.35918088 0.00000000 Rotation angle (degrees) 25.75762091 Shift along axis -5.83762826 > select clear > select subtract #12 Nothing selected > select add #12 2 models selected > ui mousemode right "translate selected models" > view matrix models > #12,0.83611,0.52765,-0.15003,-50.183,-0.5459,0.7734,-0.32224,200.27,-0.053995,0.35133,0.93469,-155.78 > select clear > open 8D33 fromDatabase pdb Summary of feedback from opening 8D33 fetched from pdb --- note | Fetching compressed mmCIF 8d33 from http://files.rcsb.org/download/8d33.cif Traceback (most recent call last): File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\cmd_line\tool.py", line 319, in execute cmd.run(cmd_text) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2897, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 119, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2897, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 154, in provider_open models, status = collated_open(session, database_name, ident, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 464, in collated_open return remember_data_format() File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 435, in remember_data_format models, status = func(*func_args, **func_kw) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\mmcif\\__init__.py", line 97, in fetch return fetcher(session, ident, ignore_cache=ignore_cache, **kw) File "src\mmcif.pyx", line 418, in chimerax.mmcif.mmcif.fetch_mmcif File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\manager.py", line 198, in open_data return provider_open(self.session, [path], _return_status=True, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 194, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 465, in collated_open return remember_data_format() File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\open_command\cmd.py", line 435, in remember_data_format models, status = func(*func_args, **func_kw) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\mmcif\\__init__.py", line 43, in open return mmcif.open_mmcif(session, data, file_name, **kw) File "src\mmcif.pyx", line 88, in chimerax.mmcif.mmcif.open_mmcif MemoryError: not enough memory MemoryError: not enough memory File "src\mmcif.pyx", line 88, in chimerax.mmcif.mmcif.open_mmcif See log for complete Python traceback. > open "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/PolGamma/8d33.pdb" 8d33.pdb title: Human mitochondrial DNA polymerase γ ternary complex with GC basepair [more info...] Chain information for 8d33.pdb #13 --- Chain | Description | UniProt A | DNA polymerase subunit γ-1 | DPOG1_HUMAN 1-1239 B C | DNA polymerase subunit γ-2, mitochondrial | DPOG2_HUMAN 1-485 P | DNA (5'- D(P*ap*ap*ap*ap*CP*GP*ap*CP*GP*GP*CP*CP*ap*GP*TP*GP*CP*CP*ap*TP*ap*C) -3') | T | DNA (25-mer) | Non-standard residues in 8d33.pdb #13 --- CA — calcium ion DCP — 2'-deoxycytidine-5'-triphosphate > select add #13 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > hide sel surfaces > show sel cartoons > hide sel atoms > select subtract #13 Nothing selected > select add #10 2 models selected > transparency #10.1 60 > fitmap #13 inMap #10 Fit molecule 8d33.pdb (#13) to map emdb 27154 (#10) using 15272 atoms average map value = 6.052, steps = 140 shifted from previous position = 7.56 rotated from previous position = 14.2 degrees atoms outside contour = 2956, contour level = 2.331 Position of 8d33.pdb (#13) relative to emdb 27154 (#10) coordinates: Matrix rotation and translation 1.00000000 0.00008016 -0.00004019 -0.00018890 -0.00008016 0.99999999 0.00006525 -0.00065926 0.00004019 -0.00006525 1.00000000 0.00288120 Axis -0.58838773 -0.36237370 -0.72283136 Axis point -16.05731538 15.07237299 0.00000000 Rotation angle (degrees) 0.00635417 Shift along axis -0.00173258 > select add #12 4 models selected > transparency #10.1#12.1 50 > transparency #10.1#12.1 60 > copy #13 Unknown command: copy #13 > construct #13 Unknown command: construct #13 > combine #13 > select add #14 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 7 models selected > select subtract #12 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 5 models selected > select subtract #10 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #14,0.98433,0.17265,-0.035848,-5.7545,-0.17625,0.96965,-0.16945,104.23,0.005504,0.17311,0.98489,-156.35 > view matrix models > #14,0.98433,0.17265,-0.035848,-39.251,-0.17625,0.96965,-0.16945,106.01,0.005504,0.17311,0.98489,-151.54 > fitmap #14 inMap #12 Fit molecule copy of 8d33.pdb (#14) to map cryosparc_P22_J108_map.mrc (#12) using 15272 atoms average map value = 0.1238, steps = 84 shifted from previous position = 5.12 rotated from previous position = 0.354 degrees atoms outside contour = 2962, contour level = 0.056973 Position of copy of 8d33.pdb (#14) relative to cryosparc_P22_J108_map.mrc (#12) coordinates: Matrix rotation and translation 0.92096202 -0.38955184 0.00884987 61.72844367 0.38068948 0.90438912 0.19275851 -69.47354846 -0.08309316 -0.17415422 0.98120632 31.17880154 Axis -0.42758315 0.10714616 0.89760367 Axis point 208.41137495 109.75165501 0.00000000 Rotation angle (degrees) 25.40755470 Shift along axis -5.85165981 > hide #!14 models > hide #!13 models > transparency #10.1#12.1 0 > volume #12 level 0.07615 > volume #12 step 1 > volume #12 step 2 > volume #12 step 1 > volume #12 step 2 > volume #12 step 4 > volume #12 step 1 > volume #12 level 0.09555 > volume #12 level 0.09001 > transparency #10.1#12.1 50 > lighting soft > lighting full > lighting soft > lighting simple > show #!14 models > show #!13 models > volume #10 level 1.374 > surface dust #10 size 8.5 > surface dust #12 size 8.4 > volume #10 level 1.948 > volume #12 level 0.06921 > hide #!10 models > hide #!12 models > hide #!13 models > hide #!14 models > show #!8 models > volume #8 step 1 > volume #8 level 0.05348 > show #!10 models > select add #8 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 5 models selected > view matrix models > #8,1,0,0,-14.01,0,1,0,13.292,0,0,1,108.91,#14,0.98336,0.17762,-0.038104,-53.917,-0.18155,0.96823,-0.17194,116.09,0.0063544,0.17599,0.98437,-45.472 > hide #!8 models > hide #!10 models > ui tool show AlphaFold > show #!11 models > transparency #11.1 0 > lighting soft > show #!14 models > hide #!14 models > show #!12 models > show #!13 models > hide #!13 models > hide #!12 models > show #!13 models > hide #!13 models > show #!12 models > hide #!11 models > show #!13 models > show #!14 models > hide #!13 models > hide #!14 models > select subtract #14 2 models selected > transparency #12.1 0 > lighting full > lighting soft > volume #12 level 0.1205 > show #!14 models > hide #!14 models > show #!13 models > show #!10 models > hide #!13 models > show #!14 models > hide #!10 models > select add #14 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 5 models selected > view matrix models > #8,1,0,0,-19.762,0,1,0,-30.117,0,0,1,-4.3092,#14,0.98336,0.17762,-0.038104,-59.669,-0.18155,0.96823,-0.17194,72.68,0.0063544,0.17599,0.98437,-158.69 > view matrix models > #8,1,0,0,6.8808,0,1,0,-19.942,0,0,1,-10.998,#14,0.98336,0.17762,-0.038104,-33.026,-0.18155,0.96823,-0.17194,82.855,0.0063544,0.17599,0.98437,-165.38 > view matrix models > #8,1,0,0,0.34683,0,1,0,-0.79417,0,0,1,-2.6543,#14,0.98336,0.17762,-0.038104,-39.56,-0.18155,0.96823,-0.17194,102,0.0063544,0.17599,0.98437,-157.04 > alphafold match > MSRLLWRKVAGATVGPGPVPAPGRWVSSSVPASDPSDGQRRRQQQQQQQQQQQQQPQQPQVLSSEGGQLRHNPLDIQMLSRGLHEQIFGQGGEMPGEAAVRRSVEHLQKHGLWGQPAVPLPDVELRLPPLYGDNLDQHFRLLAQKQSLPYLEAANLLLQAQLPPKPPAWAWAEGWTRYGPEGEAVPVAIPEERALVFDVEVCLAEGTCPTLAVAISPSAWYSWCSQRLVEERYSWTSQLSPADLIPLEVPTGASSPTQRDWQEQLVVGHNVSFDRAHIREQYLIQGSRMRFLDTMSMHMAISGLSSFQRSLWIAAKQGKHKVQPPTKQGQKSQRKARRGPAISSWDWLDISSVNSLAEVHRLYVGGPPLEKEPRELFVKGTMKDIRENFQDLMQYCAQDVWATHEVFQQQLPLFLERCPHPVTLAGMLEMGVSYLPVNQNWERYLAEAQGTYEELQREMKKSLMDLANDACQLLSGERYKEDPWLWDLEWDLQEFKQKKAKKVKKEPATASKLPIEGAGAPGDPMDQEDLGPCSEEEEFQQDVMARACLQKLKGTTELLPKRPQHLPGHPGWYRKLCPRLDDPAWTPGPSLLSLQMRVTPKLMALTWDGFPLHYSERHGWGYLVPGRRDNLAKLPTGTTLESAGVVCPYRAIESLYRKHCLEQGKQQLMPQEAGLAEEFLLTDNSAIWQTVEELDYLEVEAEAKMENLRAAVPGQPLALTARGGPKDTQPSYHHGNGPYNDVDIPGCWFFKLPHKDGNSCNVGSPFAKDFLPKMEDGTLQAGPGGASGPRALEINKMISFWRNAHKRISSQMVVWLPRSALPRAVIRHPDYDEEGLYGAILPQVVTAGTITRRAVEPTWLTASNARPDRVGSELKAMVQAPPGYTLVGADVDSQELWIAAVLGDAHFAGMHGCTAFGWMTLQGRKSRGTDLHSKTATTVGISREHAKIFNYGRIYGAGQPFAERLLMQFNHRLTQQEAAEKAQQMYAATKGLRWYRLSDEGEWLVRELNLPVDRTEGGWISLQDLRKVQRETARKSQWKKWEVVAERAWKGGTESEMFNKLESIATSDIPRTPVLGCCISRALEPSAVQEEFMTSRVNWVVQSSAVDYLHLMLVAMKWLFEEFAIDGRFCISIHDEVRYLVREEDRYRAALALQITNLLTRCMFAYKLGLNDLPQSVAFFSAVDIDRCLRKEVTMDCKTPSNPTGMERRYGIPQGEALDIYQIIELTKGSLEKRSQPGP Fetching AlphaFold database settings from https://www.rbvi.ucsf.edu/chimerax/data/status/alphafold_database3.json Fetching compressed AlphaFold E5KNU5 from https://alphafold.ebi.ac.uk/files/AF-E5KNU5-F1-model_v4.cif Expected gap or linking atom in ASP /A:34 for SER /A:33 Expected gap or linking atom in ASP /A:34 for PRO /A:35 Expected gap or linking atom in ASP /A:37 for SER /A:36 Expected gap or linking atom in ASP /A:37 for GLY /A:38 Expected gap or linking atom in ASP /A:75 for LEU /A:74 Expected gap or linking atom in ASP /A:75 for ILE /A:76 Expected gap or linking atom in ASP /A:122 for PRO /A:121 Expected gap or linking atom in ASP /A:122 for VAL /A:123 Expected gap or linking atom in ASP /A:133 for GLY /A:132 Expected gap or linking atom in ASP /A:133 for ASN /A:134 Expected gap or linking atom in ASP /A:136 for LEU /A:135 Expected gap or linking atom in ASP /A:136 for GLN /A:137 Expected gap or linking atom in ASP /A:198 for PHE /A:197 Expected gap or linking atom in ASP /A:198 for VAL /A:199 Expected gap or linking atom in ASP /A:243 for ALA /A:242 Expected gap or linking atom in ASP /A:243 for LEU /A:244 Expected gap or linking atom in ASP /A:260 for ARG /A:259 Expected gap or linking atom in ASP /A:260 for TRP /A:261 Expected gap or linking atom in ASP /A:274 for PHE /A:273 Expected gap or linking atom in ASP /A:274 for ARG /A:275 Expected gap or linking atom in ASP /A:293 for LEU /A:292 Expected gap or linking atom in ASP /A:293 for THR /A:294 Expected gap or linking atom in ASP /A:346 for TRP /A:345 Expected gap or linking atom in ASP /A:346 for TRP /A:347 Expected gap or linking atom in ASP /A:349 for LEU /A:348 Expected gap or linking atom in ASP /A:349 for ILE /A:350 Expected gap or linking atom in ASP /A:384 for LYS /A:383 Expected gap or linking atom in ASP /A:384 for ILE /A:385 Expected gap or linking atom in ASP /A:391 for GLN /A:390 Expected gap or linking atom in ASP /A:391 for LEU /A:392 Expected gap or linking atom in ASP /A:399 for GLN /A:398 Expected gap or linking atom in ASP /A:399 for VAL /A:400 Expected gap or linking atom in ASP /A:465 for MET /A:464 Expected gap or linking atom in ASP /A:465 for LEU /A:466 Expected gap or linking atom in ASP /A:469 for ASN /A:468 Expected gap or linking atom in ASP /A:469 for ALA /A:470 Expected gap or linking atom in ASP /A:482 for GLU /A:481 Expected gap or linking atom in ASP /A:482 for PRO /A:483 Expected gap or linking atom in ASP /A:487 for TRP /A:486 Expected gap or linking atom in ASP /A:487 for LEU /A:488 Expected gap or linking atom in ASP /A:491 for TRP /A:490 Expected gap or linking atom in ASP /A:491 for LEU /A:492 Expected gap or linking atom in ASP /A:523 for GLY /A:522 Expected gap or linking atom in ASP /A:523 for PRO /A:524 Expected gap or linking atom in ASP /A:526 for MET /A:525 Expected gap or linking atom in ASP /A:526 for GLN /A:527 Expected gap or linking atom in ASP /A:529 for GLU /A:528 Expected gap or linking atom in ASP /A:529 for LEU /A:530 Expected gap or linking atom in ASP /A:542 for GLN /A:541 Expected gap or linking atom in ASP /A:542 for VAL /A:543 Expected gap or linking atom in ASP /A:581 for LEU /A:580 Expected gap or linking atoms for ASP /A:581 and ASP /A:582 Expected gap or linking atom in ASP /A:582 for PRO /A:583 Expected gap or linking atom in ASP /A:608 for TRP /A:607 Expected gap or linking atom in ASP /A:608 for GLY /A:609 Expected gap or linking atom in ASP /A:629 for ARG /A:628 Expected gap or linking atom in ASP /A:629 for ASN /A:630 Expected gap or linking atom in ASP /A:683 for THR /A:682 Expected gap or linking atom in ASP /A:683 for ASN /A:684 Expected gap or linking atom in ASP /A:695 for LEU /A:694 Expected gap or linking atom in ASP /A:695 for TYR /A:696 Expected gap or linking atom in ASP /A:727 for LYS /A:726 Expected gap or linking atom in ASP /A:727 for THR /A:728 Expected gap or linking atom in ASP /A:741 for ASN /A:740 Expected gap or linking atom in ASP /A:741 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for ILE /A:744 Expected gap or linking atom in ASP /A:756 for LYS /A:755 Expected gap or linking atom in ASP /A:756 for GLY /A:757 Expected gap or linking atom in ASP /A:769 for LYS /A:768 Expected gap or linking atom in ASP /A:769 for PHE /A:770 Expected gap or linking atom in ASP /A:776 for GLU /A:775 Expected gap or linking atom in ASP /A:776 for GLY /A:777 Expected gap or linking atom in ASP /A:830 for PRO /A:829 Expected gap or linking atom in ASP /A:830 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for GLU /A:833 Expected gap or linking atom in ASP /A:868 for PRO /A:867 Expected gap or linking atom in ASP /A:868 for ARG /A:869 Expected gap or linking atom in ASP /A:890 for ALA /A:889 Expected gap or linking atom in ASP /A:890 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for SER /A:893 Expected gap or linking atom in ASP /A:904 for GLY /A:903 Expected gap or linking atom in ASP /A:904 for ALA /A:905 Expected gap or linking atom in ASP /A:930 for THR /A:929 Expected gap or linking atom in ASP /A:930 for LEU /A:931 Expected gap or linking atom in ASP /A:999 for SER /A:998 Expected gap or linking atom in ASP /A:999 for GLU /A:1000 Expected gap or linking atom in ASP /A:1013 for VAL /A:1012 Expected gap or linking atom in ASP /A:1013 for ARG /A:1014 Expected gap or linking atom in ASP /A:1024 for GLN /A:1023 Expected gap or linking atom in ASP /A:1024 for LEU /A:1025 Expected gap or linking atom in ASP /A:1068 for SER /A:1067 Expected gap or linking atom in ASP /A:1068 for ILE /A:1069 Expected gap or linking atom in ASP /A:1107 for VAL /A:1106 Expected gap or linking atom in ASP /A:1107 for TYR /A:1108 Expected gap or linking atom in ASP /A:1126 for ILE /A:1125 Expected gap or linking atom in ASP /A:1126 for GLY /A:1127 Expected gap or linking atom in ASP /A:1135 for HIS /A:1134 Expected gap or linking atom in ASP /A:1135 for GLU /A:1136 Expected gap or linking atom in ASP /A:1145 for GLU /A:1144 Expected gap or linking atom in ASP /A:1145 for ARG /A:1146 Expected gap or linking atom in ASP /A:1172 for ASN /A:1171 Expected gap or linking atom in ASP /A:1172 for LEU /A:1173 Expected gap or linking atom in ASP /A:1184 for VAL /A:1183 Expected gap or linking atom in ASP /A:1184 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ARG /A:1187 Expected gap or linking atom in ASP /A:1196 for MET /A:1195 Expected gap or linking atom in ASP /A:1196 for CYS /A:1197 Expected gap or linking atom in ASP /A:1219 for LEU /A:1218 Expected gap or linking atom in ASP /A:1219 for ILE /A:1220 1 AlphaFold model found using sequence similarity searches: E5KNU5 (1 sequences) Sequence Similarity --- AlphaFold Model| Query Sequence| Identity %| Coverage % E5KNU5_HUMAN | MSRLL...SQPGP | 100.0 | 100.0 Opened 1 AlphaFold model > combine #13 > hide #!12 models > hide #!14 models > select subtract #14 2 models selected > select add #15 9824 atoms, 10080 bonds, 1239 residues, 3 models selected > select subtract #15 2 models selected > select add #16 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 5 models selected > select subtract #16 2 models selected > select add #16 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 5 models selected > select #16/T 494 atoms, 552 bonds, 24 residues, 1 model selected > hide sel target a > hide sel cartoons > select #16/P 451 atoms, 507 bonds, 22 residues, 1 model selected > hide sel cartoons > select #16/B 3307 atoms, 3386 bonds, 2 pseudobonds, 411 residues, 2 models selected > hide sel cartoons > select #16/C 3213 atoms, 3290 bonds, 2 pseudobonds, 399 residues, 2 models selected > hide sel cartoons > select add #16 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #16,0.98433,0.17265,-0.035848,-103.56,-0.17625,0.96965,-0.16945,-60.683,0.005504,0.17311,0.98489,-172.6 > select clear > ui tool show "Fit in Map" > select add #13 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > select subtract #13 Nothing selected > select add #16 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #16,0.98433,0.17265,-0.035848,-86.159,-0.17625,0.96965,-0.16945,-43.476,0.005504,0.17311,0.98489,-172.68 > view matrix models > #16,-0.77133,0.54417,-0.33005,136.56,-0.28673,0.16585,0.94355,-66.529,0.56819,0.82242,0.028104,-209.63 > view matrix models > #16,-0.77133,0.54417,-0.33005,80.743,-0.28673,0.16585,0.94355,-113.75,0.56819,0.82242,0.028104,-186.05 > view matrix models > #16,-0.77133,0.54417,-0.33005,68.373,-0.28673,0.16585,0.94355,-89.53,0.56819,0.82242,0.028104,-193.06 > ui tool show Matchmaker > matchmaker #15 to #16 | Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker copy of 8d33.pdb, chain A (#16) with AlphaFold E5KNU5_HUMAN, chain A (#15), sequence alignment score = 5920.9 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > select clear > combine #15 > select add #17 9824 atoms, 10080 bonds, 1239 residues, 1 model selected > view matrix models > #17,0.93054,-0.36483,-0.031397,7.2495,0.35704,0.92302,-0.1434,77.259,0.081296,0.12223,0.98917,120.01 > select clear [Repeated 1 time(s)] > select add #17 9824 atoms, 10080 bonds, 1239 residues, 1 model selected > view matrix models > #17,0.93054,-0.36483,-0.031397,2.9799,0.35704,0.92302,-0.1434,128,0.081296,0.12223,0.98917,168.15 > select clear > color #15 #ff557fff Alignment identifier is 1 Alignment identifier is 2 Alignment identifier is 3 Alignment identifier is 4 Alignment identifier is 5 > ui tool show "Blast Protein" > ui tool show "Show Sequence Viewer" > sequence chain #13/A #14/A #16/A Alignment identifier is 1 > sequence chain #15/A #17/A Alignment identifier is 2 > ui tool show "Show Sequence Viewer" > sequence chain #17/A Alignment identifier is 17/A > sequence chain #13/A Alignment identifier is 13/A Drag select of 2213 residues, 6 pseudobonds > ui tool show "Show Sequence Viewer" Alignment identifier is 15/A Alignment identifier is 16/A > ui tool show "Modeller Comparative" > modeller comparative 15/A:1 16/A:1 numModels 5 fast false multichain true > hetPreserve false hydrogens false waterPreserve false No Modeller license key provided. Get a license key by registering at the Modeller web site. > select clear > ui tool show AlphaFold > color #15 #fffcefff > color #15 #fff9faff > color #15 #a39fa0ff > color #15 #aba7a8ff > color #15 #bab6b6ff > color #15 #cbc6c7ff > hide #!16 models > show #!16 models > color #16 #ff007fff Drag select of 2213 residues, 6 pseudobonds > preset cartoons/nucleotides cylinders/stubs Using preset: Cartoons/Nucleotides / Cylinders/Stubs Changed 45729 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect cartoon style protein modeh tube rad 2 sides 24 thick 0.6 cartoon style nucleic x round width 1.6 thick 1.6 nucleotides stubs > undo > select clear > ui tool show "Show Sequence Viewer" [Repeated 1 time(s)] > sequence chain #16/A Alignment identifier is 16/A > sequence chain #15/A Alignment identifier is 15/A Alignment identifier is 1 Alignment identifier is 2 Alignment identifier is 3 Alignment identifier is 4 Alignment identifier is 5 > ui tool show Matchmaker > matchmaker #!16 to #15 Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker AlphaFold E5KNU5_HUMAN, chain A (#15) with copy of 8d33.pdb, chain A (#16), sequence alignment score = 5920.9 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > ui tool show "Show Sequence Viewer" > ui tool show Matchmaker > matchmaker #!16 to #15 showAlignment true Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker AlphaFold E5KNU5_HUMAN, chain A (#15) with copy of 8d33.pdb, chain A (#16), sequence alignment score = 5920.9 Alignment identifier is 1 Showing conservation header ("seq_conservation" residue attribute) for alignment 1 Hiding conservation header for alignment 1 Chains used in RMSD evaluation for alignment 1: AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A Showing rmsd header ("seq_rmsd" residue attribute) for alignment 1 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > select #15/A:1 8 atoms, 7 bonds, 1 residue, 1 model selected > select #15/A:1-44 330 atoms, 339 bonds, 44 residues, 1 model selected > select #15/A:2 6 atoms, 5 bonds, 1 residue, 1 model selected > select #15/A:1-44 330 atoms, 339 bonds, 44 residues, 1 model selected > select > #15/A:70-74,76-88,90,95-96,98-100,102-103,106,114-115,117,119-162,164-179,183-217,219-232,234-248,262-316,345-365,367-371,375-457,594,620,736-737,751-752,762,764-766,784-785,789-790,792-922,948,950-952,989,992-993,1049-1133,1135-1234 > #16/A:70-74,76-88,90,95-96,98-100,102-103,106,114-115,117,119-162,164-179,183-217,219-232,234-248,262-316,345-365,367-371,375-457,594,620,736-737,751-752,762,764-766,784-785,789-790,792-922,948,950-952,989,992-993,1049-1133,1135-1234 10456 atoms, 10663 bonds, 1310 residues, 2 models selected > select #15/A:68 9 atoms, 8 bonds, 1 residue, 1 model selected > select #15/A:1-68 523 atoms, 534 bonds, 68 residues, 1 model selected > color sel red > select clear > color #16 blue Drag select of 2213 residues, 6 pseudobonds > preset cartoons/nucleotides cylinders/stubs Using preset: Cartoons/Nucleotides / Cylinders/Stubs Changed 45729 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect cartoon style protein modeh tube rad 2 sides 24 thick 0.6 cartoon style nucleic x round width 1.6 thick 1.6 nucleotides stubs > select #16/T 494 atoms, 552 bonds, 24 residues, 1 model selected > delete atoms sel > delete bonds sel > select #16/P 451 atoms, 507 bonds, 22 residues, 1 model selected > delete atoms sel > delete bonds sel > select #16/B 3307 atoms, 3386 bonds, 2 pseudobonds, 411 residues, 2 models selected > delete atoms (#!16 & sel) > delete bonds (#!16 & sel) > select #16/C 3213 atoms, 3290 bonds, 2 pseudobonds, 399 residues, 2 models selected > delete atoms (#!16 & sel) > delete bonds (#!16 & sel) > select #15/A:252 4 atoms, 3 bonds, 1 residue, 1 model selected > select #15/A:252-259 55 atoms, 55 bonds, 8 residues, 1 model selected > color sel red > select #15/A:317 9 atoms, 8 bonds, 1 residue, 1 model selected > select #15/A:317-341 196 atoms, 199 bonds, 25 residues, 1 model selected > color sel red > select #15/A:500-501 14 atoms, 13 bonds, 2 residues, 1 model selected > select #15/A:500-529 214 atoms, 217 bonds, 30 residues, 1 model selected > color sel red > select clear > select #15/A:632 5 atoms, 4 bonds, 1 residue, 1 model selected > select #15/A:632-644 86 atoms, 86 bonds, 13 residues, 1 model selected > color sel red > select #15/A:664 4 atoms, 3 bonds, 1 residue, 1 model selected > select #15/A:664-700 297 atoms, 301 bonds, 37 residues, 1 model selected > color sel red > select #15/A:632 5 atoms, 4 bonds, 1 residue, 1 model selected > select #15/A:632-644 86 atoms, 86 bonds, 13 residues, 1 model selected > color sel red > ui tool show "Color Actions" > select #15/A:701-702 14 atoms, 13 bonds, 2 residues, 1 model selected > select #15/A:701-729 208 atoms, 210 bonds, 29 residues, 1 model selected > color sel red > select clear > select #15/A:998 6 atoms, 5 bonds, 1 residue, 1 model selected > select #15/A:998-1048 429 atoms, 437 bonds, 51 residues, 1 model selected > color sel red > select #15/A:1236-1237 16 atoms, 16 bonds, 2 residues, 1 model selected > select #15/A:1236-1239 28 atoms, 29 bonds, 4 residues, 1 model selected > color sel red > select #15/A:500 5 atoms, 4 bonds, 1 residue, 1 model selected > select #15/A:500-529 214 atoms, 217 bonds, 30 residues, 1 model selected > select clear > hide #!16 models > show #!16 models > hide #!16 models > save "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/PolGamma/Alpha fold structure of PolG_A_in red missing fragments > from pdb_8d33.bmp" width 1313 height 911 supersample 3 > save "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/PolGamma/Alpha fold structure of PolG_A.bmp" width 1313 height > 911 supersample 3 > show #!16 models > view orient > hide #!16 models > show #!16 models > save "C:/Users/Ania/OneDrive - University of Gdansk/Ania/Cryo data > processing/PolGamma/Alpha fold structure of PolG_A_in red missing fragments > from pdb_8d33_blue.bmp" width 1313 height 911 supersample 3 > color #15::c_alpha_distance<3.0 lime > show #15::c_alpha_distance<3.0 atoms,ribbons [Repeated 1 time(s)] > color #15::c_alpha_distance<3.0 lime [Repeated 1 time(s)] > show #15::c_alpha_distance<3.0 atoms,ribbons > show #15::c_alpha_distance<2.0 atoms,ribbons > alphafold match #16 Fetching compressed AlphaFold P54098 from https://alphafold.ebi.ac.uk/files/AF-P54098-F1-model_v4.cif Expected gap or linking atom in ASP /A:34 for SER /A:33 Expected gap or linking atom in ASP /A:34 for PRO /A:35 Expected gap or linking atom in ASP /A:37 for SER /A:36 Expected gap or linking atom in ASP /A:37 for GLY /A:38 Expected gap or linking atom in ASP /A:75 for LEU /A:74 Expected gap or linking atom in ASP /A:75 for ILE /A:76 Expected gap or linking atom in ASP /A:122 for PRO /A:121 Expected gap or linking atom in ASP /A:122 for VAL /A:123 Expected gap or linking atom in ASP /A:133 for GLY /A:132 Expected gap or linking atom in ASP /A:133 for ASN /A:134 Expected gap or linking atom in ASP /A:136 for LEU /A:135 Expected gap or linking atom in ASP /A:136 for GLN /A:137 Expected gap or linking atom in ASP /A:198 for PHE /A:197 Expected gap or linking atom in ASP /A:198 for VAL /A:199 Expected gap or linking atom in ASP /A:243 for ALA /A:242 Expected gap or linking atom in ASP /A:243 for LEU /A:244 Expected gap or linking atom in ASP /A:260 for ARG /A:259 Expected gap or linking atom in ASP /A:260 for TRP /A:261 Expected gap or linking atom in ASP /A:274 for PHE /A:273 Expected gap or linking atom in ASP /A:274 for ARG /A:275 Expected gap or linking atom in ASP /A:293 for LEU /A:292 Expected gap or linking atom in ASP /A:293 for THR /A:294 Expected gap or linking atom in ASP /A:346 for TRP /A:345 Expected gap or linking atom in ASP /A:346 for TRP /A:347 Expected gap or linking atom in ASP /A:349 for LEU /A:348 Expected gap or linking atom in ASP /A:349 for ILE /A:350 Expected gap or linking atom in ASP /A:384 for LYS /A:383 Expected gap or linking atom in ASP /A:384 for ILE /A:385 Expected gap or linking atom in ASP /A:391 for GLN /A:390 Expected gap or linking atom in ASP /A:391 for LEU /A:392 Expected gap or linking atom in ASP /A:399 for GLN /A:398 Expected gap or linking atom in ASP /A:399 for VAL /A:400 Expected gap or linking atom in ASP /A:465 for MET /A:464 Expected gap or linking atom in ASP /A:465 for LEU /A:466 Expected gap or linking atom in ASP /A:469 for ASN /A:468 Expected gap or linking atom in ASP /A:469 for ALA /A:470 Expected gap or linking atom in ASP /A:482 for GLU /A:481 Expected gap or linking atom in ASP /A:482 for PRO /A:483 Expected gap or linking atom in ASP /A:487 for TRP /A:486 Expected gap or linking atom in ASP /A:487 for LEU /A:488 Expected gap or linking atom in ASP /A:491 for TRP /A:490 Expected gap or linking atom in ASP /A:491 for LEU /A:492 Expected gap or linking atom in ASP /A:523 for GLY /A:522 Expected gap or linking atom in ASP /A:523 for PRO /A:524 Expected gap or linking atom in ASP /A:526 for MET /A:525 Expected gap or linking atom in ASP /A:526 for GLN /A:527 Expected gap or linking atom in ASP /A:529 for GLU /A:528 Expected gap or linking atom in ASP /A:529 for LEU /A:530 Expected gap or linking atom in ASP /A:542 for GLN /A:541 Expected gap or linking atom in ASP /A:542 for VAL /A:543 Expected gap or linking atom in ASP /A:581 for LEU /A:580 Expected gap or linking atoms for ASP /A:581 and ASP /A:582 Expected gap or linking atom in ASP /A:582 for PRO /A:583 Expected gap or linking atom in ASP /A:608 for TRP /A:607 Expected gap or linking atom in ASP /A:608 for GLY /A:609 Expected gap or linking atom in ASP /A:629 for ARG /A:628 Expected gap or linking atom in ASP /A:629 for ASN /A:630 Expected gap or linking atom in ASP /A:683 for THR /A:682 Expected gap or linking atom in ASP /A:683 for ASN /A:684 Expected gap or linking atom in ASP /A:695 for LEU /A:694 Expected gap or linking atom in ASP /A:695 for TYR /A:696 Expected gap or linking atom in ASP /A:727 for LYS /A:726 Expected gap or linking atom in ASP /A:727 for THR /A:728 Expected gap or linking atom in ASP /A:741 for ASN /A:740 Expected gap or linking atom in ASP /A:741 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for ILE /A:744 Expected gap or linking atom in ASP /A:756 for LYS /A:755 Expected gap or linking atom in ASP /A:756 for GLY /A:757 Expected gap or linking atom in ASP /A:769 for LYS /A:768 Expected gap or linking atom in ASP /A:769 for PHE /A:770 Expected gap or linking atom in ASP /A:776 for GLU /A:775 Expected gap or linking atom in ASP /A:776 for GLY /A:777 Expected gap or linking atom in ASP /A:830 for PRO /A:829 Expected gap or linking atom in ASP /A:830 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for GLU /A:833 Expected gap or linking atom in ASP /A:868 for PRO /A:867 Expected gap or linking atom in ASP /A:868 for ARG /A:869 Expected gap or linking atom in ASP /A:890 for ALA /A:889 Expected gap or linking atom in ASP /A:890 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for SER /A:893 Expected gap or linking atom in ASP /A:904 for GLY /A:903 Expected gap or linking atom in ASP /A:904 for ALA /A:905 Expected gap or linking atom in ASP /A:930 for THR /A:929 Expected gap or linking atom in ASP /A:930 for LEU /A:931 Expected gap or linking atom in ASP /A:999 for SER /A:998 Expected gap or linking atom in ASP /A:999 for GLU /A:1000 Expected gap or linking atom in ASP /A:1013 for VAL /A:1012 Expected gap or linking atom in ASP /A:1013 for ARG /A:1014 Expected gap or linking atom in ASP /A:1024 for GLN /A:1023 Expected gap or linking atom in ASP /A:1024 for LEU /A:1025 Expected gap or linking atom in ASP /A:1068 for SER /A:1067 Expected gap or linking atom in ASP /A:1068 for ILE /A:1069 Expected gap or linking atom in ASP /A:1107 for VAL /A:1106 Expected gap or linking atom in ASP /A:1107 for TYR /A:1108 Expected gap or linking atom in ASP /A:1126 for ILE /A:1125 Expected gap or linking atom in ASP /A:1126 for GLY /A:1127 Expected gap or linking atom in ASP /A:1135 for HIS /A:1134 Expected gap or linking atom in ASP /A:1135 for GLU /A:1136 Expected gap or linking atom in ASP /A:1145 for GLU /A:1144 Expected gap or linking atom in ASP /A:1145 for ARG /A:1146 Expected gap or linking atom in ASP /A:1172 for ASN /A:1171 Expected gap or linking atom in ASP /A:1172 for LEU /A:1173 Expected gap or linking atom in ASP /A:1184 for VAL /A:1183 Expected gap or linking atom in ASP /A:1184 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ARG /A:1187 Expected gap or linking atom in ASP /A:1196 for MET /A:1195 Expected gap or linking atom in ASP /A:1196 for CYS /A:1197 Expected gap or linking atom in ASP /A:1219 for LEU /A:1218 Expected gap or linking atom in ASP /A:1219 for ILE /A:1220 1 AlphaFold model found using UniProt identifier: P54098 (chain A) AlphaFold prediction matching copy of 8d33.pdb --- Chain| UniProt Id| UniProt Name| RMSD| Length| Seen| % Id A | P54098 | DPOG1_HUMAN | 7.57 | 1239 | 974 | 100 Associated AlphaFold DPOG1_HUMAN chain A (18.1) chain A to AlphaFold E5KNU5_HUMAN, chain A with 0 mismatches Chains used in RMSD evaluation for alignment 1: AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A, AlphaFold DPOG1_HUMAN chain A #18.1/A Opened 1 AlphaFold model > hide #!18 models > show #!18 models > hide #17 models > hide #15 models > hide #18.1 models > show #18.1 models > show #18.1::c_alpha_distance<2.0 atoms,ribbons > hide #18.1::c_alpha_distance<2.0 atoms,ribbons > color #18.1::c_alpha_distance<2.0 lime > color #18.1::c_alpha_distance>=3.0 lime > close #18 Chains used in RMSD evaluation for alignment 1: AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A > show #15 models > hide #!16 models > show #!16 models > color #15::c_alpha_distance>=3.0 lime [Repeated 1 time(s)] > color #15::c_alpha_distance>=2.0 lime > color #16::c_alpha_distance>=2.0 lime > undo > color #15::c_alpha_distance>=3.0 lime > color #15::missing_structure=true yellow > color #15::missing_structure=true lime [Repeated 3 time(s)] > hide #15 models > show #15 models > color #15::c_alpha_distance>=3.0 lime [Repeated 5 time(s)] > alphafold match #15 Expected gap or linking atom in ASP /A:34 for SER /A:33 Expected gap or linking atom in ASP /A:34 for PRO /A:35 Expected gap or linking atom in ASP /A:37 for SER /A:36 Expected gap or linking atom in ASP /A:37 for GLY /A:38 Expected gap or linking atom in ASP /A:75 for LEU /A:74 Expected gap or linking atom in ASP /A:75 for ILE /A:76 Expected gap or linking atom in ASP /A:122 for PRO /A:121 Expected gap or linking atom in ASP /A:122 for VAL /A:123 Expected gap or linking atom in ASP /A:133 for GLY /A:132 Expected gap or linking atom in ASP /A:133 for ASN /A:134 Expected gap or linking atom in ASP /A:136 for LEU /A:135 Expected gap or linking atom in ASP /A:136 for GLN /A:137 Expected gap or linking atom in ASP /A:198 for PHE /A:197 Expected gap or linking atom in ASP /A:198 for VAL /A:199 Expected gap or linking atom in ASP /A:243 for ALA /A:242 Expected gap or linking atom in ASP /A:243 for LEU /A:244 Expected gap or linking atom in ASP /A:260 for ARG /A:259 Expected gap or linking atom in ASP /A:260 for TRP /A:261 Expected gap or linking atom in ASP /A:274 for PHE /A:273 Expected gap or linking atom in ASP /A:274 for ARG /A:275 Expected gap or linking atom in ASP /A:293 for LEU /A:292 Expected gap or linking atom in ASP /A:293 for THR /A:294 Expected gap or linking atom in ASP /A:346 for TRP /A:345 Expected gap or linking atom in ASP /A:346 for TRP /A:347 Expected gap or linking atom in ASP /A:349 for LEU /A:348 Expected gap or linking atom in ASP /A:349 for ILE /A:350 Expected gap or linking atom in ASP /A:384 for LYS /A:383 Expected gap or linking atom in ASP /A:384 for ILE /A:385 Expected gap or linking atom in ASP /A:391 for GLN /A:390 Expected gap or linking atom in ASP /A:391 for LEU /A:392 Expected gap or linking atom in ASP /A:399 for GLN /A:398 Expected gap or linking atom in ASP /A:399 for VAL /A:400 Expected gap or linking atom in ASP /A:465 for MET /A:464 Expected gap or linking atom in ASP /A:465 for LEU /A:466 Expected gap or linking atom in ASP /A:469 for ASN /A:468 Expected gap or linking atom in ASP /A:469 for ALA /A:470 Expected gap or linking atom in ASP /A:482 for GLU /A:481 Expected gap or linking atom in ASP /A:482 for PRO /A:483 Expected gap or linking atom in ASP /A:487 for TRP /A:486 Expected gap or linking atom in ASP /A:487 for LEU /A:488 Expected gap or linking atom in ASP /A:491 for TRP /A:490 Expected gap or linking atom in ASP /A:491 for LEU /A:492 Expected gap or linking atom in ASP /A:523 for GLY /A:522 Expected gap or linking atom in ASP /A:523 for PRO /A:524 Expected gap or linking atom in ASP /A:526 for MET /A:525 Expected gap or linking atom in ASP /A:526 for GLN /A:527 Expected gap or linking atom in ASP /A:529 for GLU /A:528 Expected gap or linking atom in ASP /A:529 for LEU /A:530 Expected gap or linking atom in ASP /A:542 for GLN /A:541 Expected gap or linking atom in ASP /A:542 for VAL /A:543 Expected gap or linking atom in ASP /A:581 for LEU /A:580 Expected gap or linking atoms for ASP /A:581 and ASP /A:582 Expected gap or linking atom in ASP /A:582 for PRO /A:583 Expected gap or linking atom in ASP /A:608 for TRP /A:607 Expected gap or linking atom in ASP /A:608 for GLY /A:609 Expected gap or linking atom in ASP /A:629 for ARG /A:628 Expected gap or linking atom in ASP /A:629 for ASN /A:630 Expected gap or linking atom in ASP /A:683 for THR /A:682 Expected gap or linking atom in ASP /A:683 for ASN /A:684 Expected gap or linking atom in ASP /A:695 for LEU /A:694 Expected gap or linking atom in ASP /A:695 for TYR /A:696 Expected gap or linking atom in ASP /A:727 for LYS /A:726 Expected gap or linking atom in ASP /A:727 for THR /A:728 Expected gap or linking atom in ASP /A:741 for ASN /A:740 Expected gap or linking atom in ASP /A:741 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for VAL /A:742 Expected gap or linking atom in ASP /A:743 for ILE /A:744 Expected gap or linking atom in ASP /A:756 for LYS /A:755 Expected gap or linking atom in ASP /A:756 for GLY /A:757 Expected gap or linking atom in ASP /A:769 for LYS /A:768 Expected gap or linking atom in ASP /A:769 for PHE /A:770 Expected gap or linking atom in ASP /A:776 for GLU /A:775 Expected gap or linking atom in ASP /A:776 for GLY /A:777 Expected gap or linking atom in ASP /A:830 for PRO /A:829 Expected gap or linking atom in ASP /A:830 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for TYR /A:831 Expected gap or linking atom in ASP /A:832 for GLU /A:833 Expected gap or linking atom in ASP /A:868 for PRO /A:867 Expected gap or linking atom in ASP /A:868 for ARG /A:869 Expected gap or linking atom in ASP /A:890 for ALA /A:889 Expected gap or linking atom in ASP /A:890 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for VAL /A:891 Expected gap or linking atom in ASP /A:892 for SER /A:893 Expected gap or linking atom in ASP /A:904 for GLY /A:903 Expected gap or linking atom in ASP /A:904 for ALA /A:905 Expected gap or linking atom in ASP /A:930 for THR /A:929 Expected gap or linking atom in ASP /A:930 for LEU /A:931 Expected gap or linking atom in ASP /A:999 for SER /A:998 Expected gap or linking atom in ASP /A:999 for GLU /A:1000 Expected gap or linking atom in ASP /A:1013 for VAL /A:1012 Expected gap or linking atom in ASP /A:1013 for ARG /A:1014 Expected gap or linking atom in ASP /A:1024 for GLN /A:1023 Expected gap or linking atom in ASP /A:1024 for LEU /A:1025 Expected gap or linking atom in ASP /A:1068 for SER /A:1067 Expected gap or linking atom in ASP /A:1068 for ILE /A:1069 Expected gap or linking atom in ASP /A:1107 for VAL /A:1106 Expected gap or linking atom in ASP /A:1107 for TYR /A:1108 Expected gap or linking atom in ASP /A:1126 for ILE /A:1125 Expected gap or linking atom in ASP /A:1126 for GLY /A:1127 Expected gap or linking atom in ASP /A:1135 for HIS /A:1134 Expected gap or linking atom in ASP /A:1135 for GLU /A:1136 Expected gap or linking atom in ASP /A:1145 for GLU /A:1144 Expected gap or linking atom in ASP /A:1145 for ARG /A:1146 Expected gap or linking atom in ASP /A:1172 for ASN /A:1171 Expected gap or linking atom in ASP /A:1172 for LEU /A:1173 Expected gap or linking atom in ASP /A:1184 for VAL /A:1183 Expected gap or linking atom in ASP /A:1184 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ILE /A:1185 Expected gap or linking atom in ASP /A:1186 for ARG /A:1187 Expected gap or linking atom in ASP /A:1196 for MET /A:1195 Expected gap or linking atom in ASP /A:1196 for CYS /A:1197 Expected gap or linking atom in ASP /A:1219 for LEU /A:1218 Expected gap or linking atom in ASP /A:1219 for ILE /A:1220 1 AlphaFold model found using UniProt identifier: E5KNU5 (chain A) AlphaFold prediction matching AlphaFold E5KNU5_HUMAN --- Chain| UniProt Id| UniProt Name| RMSD| Length| Seen| % Id A | E5KNU5 | E5KNU5_HUMAN | 0.00 | 1239 | 1239 | 100 Associated AlphaFold E5KNU5_HUMAN chain A (18.1) chain A to AlphaFold E5KNU5_HUMAN, chain A with 0 mismatches Chains used in RMSD evaluation for alignment 1: AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A, AlphaFold E5KNU5_HUMAN chain A #18.1/A Opened 1 AlphaFold model > hide #15 models > color #15::c_alpha_distance>=3.0 lime > color #18.1::c_alpha_distance>=3.0 lime [Repeated 1 time(s)] > hide #!16 models > show #!16 models > show #18.1::c_alpha_distance>=3.0 atoms,ribbons > color #18.1::c_alpha_distance>=3.0 lime [Repeated 1 time(s)] > ui tool show "Command Line Interface" > show #15 models > hide #!18 models > show #!18 models > hide #18.1 models > show #18.1 models > close #18 Chains used in RMSD evaluation for alignment 1: AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A > color #15::c_alpha_distance>=3.0 magenta > color #15::c_alpha_distance>=5.0 magenta [Repeated 1 time(s)] > color #15::c_alpha_distance>=2.0 magenta [Repeated 1 time(s)] > color #16::c_alpha_distance>=2.0 magenta > color #16::c_alpha_distance>=3.0 magenta [Repeated 1 time(s)] > color #16::c_alpha_distance>=5.0 yellow > undo [Repeated 3 time(s)] > color #16::c_alpha_distance>=3.0 lime > undo > hide #!16 models > hide #15 models > show #15 models > select #15::c_alpha_distance>=3.0 Nothing selected > show #15::c_alpha_distance>=3.0 atoms,ribbons > show #17 models > show #17::c_alpha_distance>=3.0 atoms,ribbons > color #17::c_alpha_distance>=3.0 lime > show #15::c_alpha_distance>=3.0 atoms,ribbons > select #15::c_alpha_distance>=3.0 Nothing selected > show #!16 models > hide #!16 models > hide #17 models > show #!12 models > show #!13 models > hide #!13 models > show #!14 models > hide #!12 models > select add #15 9824 atoms, 10080 bonds, 1239 residues, 1 model selected > view matrix models > #15,0.93054,-0.36483,-0.031397,-12.809,0.35704,0.92302,-0.1434,172.62,0.081296,0.12223,0.98917,-20.902 > view matrix models > #15,0.93054,-0.36483,-0.031397,-14.194,0.35704,0.92302,-0.1434,201.77,0.081296,0.12223,0.98917,-76.379 > ui tool show Matchmaker > matchmaker #15 to #14 showAlignment true Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker copy of 8d33.pdb, chain A (#14) with AlphaFold E5KNU5_HUMAN, chain A (#15), sequence alignment score = 5920.9 Alignment identifier is 2 Showing conservation header ("seq_conservation" residue attribute) for alignment 2 Hiding conservation header for alignment 2 Chains used in RMSD evaluation for alignment 2: copy of 8d33.pdb #14/A, AlphaFold E5KNU5_HUMAN #15/A Showing rmsd header ("seq_rmsd" residue attribute) for alignment 2 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > show #!12 models > select clear > volume #12 level 0.0803 > hide #!14 models > transparency #12.1 50 > show #!13 models > hide #!13 models > show #!14 models > hide #15 models > preset cartoons/nucleotides ribbons/slabs Using preset: Cartoons/Nucleotides / Ribbons/Slabs Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > show #15 models > hide #15 models > show #15 models > hide #15 models > show #15 models > hide #15 models > open 27155 from embd No such database 'embd' > open 27155 fromDatabase emdb Summary of feedback from opening 27155 fetched from emdb --- note | Fetching compressed map 27155 from ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-27155/map/emd_27155.map.gz Opened emdb 27155 as #18, grid size 320,320,320, pixel 0.85, shown at level 2.28, step 2, values float32 > close #1-9 > surface dust #12 size 8.4 > surface dust #18 size 8.5 > select add #18 2 models selected > view matrix models #18,1,0,0,11.577,0,1,0,-4.5443,0,0,1,-9.4709 > view matrix models > #18,-0.38759,0.92142,0.027633,68.775,0.74716,0.29645,0.59487,-87.52,0.53993,0.25121,-0.80335,121.67 > hide #!18 models > volume #12 step 2 > volume #12 step 1 > volume #12 level 0.04842 > volume gaussian #12 sDev 2 Opened cryosparc_P22_J108_map.mrc gaussian as #1, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 > volume #1 level 0.06148 > ui tool show "Fit in Map" > fitmap #14 inMap #1 Fit molecule copy of 8d33.pdb (#14) to map cryosparc_P22_J108_map.mrc gaussian (#1) using 15272 atoms average map value = 0.07739, steps = 72 shifted from previous position = 2.74 rotated from previous position = 0.202 degrees atoms outside contour = 4555, contour level = 0.061477 Position of copy of 8d33.pdb (#14) relative to cryosparc_P22_J108_map.mrc gaussian (#1) coordinates: Matrix rotation and translation 0.92103258 -0.38942555 0.00683556 61.84981821 0.38068138 0.90378483 0.19558799 -69.81264559 -0.08234484 -0.17754074 0.98066234 31.50702957 Axis -0.43368218 0.10365310 0.89508424 Axis point 209.54691730 109.80769424 0.00000000 Rotation angle (degrees) 25.47941839 Shift along axis -5.85801510 > volume #1 level 0.08287 > transparency #1.1 50 > volume #1 level 0.07311 > volume #1 level 0.08925 > volume #1 level 0.07311 > ui mousemode right clip > ui mousemode right "clip rotate" > ui mousemode right "contour level" > volume #1 level 0.05265 > volume #1 level 0.07802 > volume #1 level 0.03922 > ui mousemode right zone > ui tool show "Side View" > ui mousemode right "clip rotate" > undo > hide #!18 models > ui mousemode right "clip rotate" > undo clip Expected fewer arguments > undo clipping Expected fewer arguments > ui mousemode right clip > ui mousemode right "rotate selected models" > volume #1 level 0.04785 > volume #1 level 0.07562 > ui mousemode right clip > hide #!18 models > show #!1 models > hide #!1 models > show #!12 models > volume #12 level 0.08308 > fitmap #18 inMap #12 Fit map emdb 27155 in map cryosparc_P22_J108_map.mrc using 40897 points correlation = 0.4329, correlation about mean = 0.2712, overlap = 3503 steps = 864, shift = 104, angle = 7.69 degrees Position of emdb 27155 (#18) relative to cryosparc_P22_J108_map.mrc (#12) coordinates: Matrix rotation and translation -0.79660504 0.51542983 -0.31583619 220.05358921 0.51699673 0.85166588 0.08590465 -66.44322980 0.31326473 -0.09485420 -0.94491687 256.67114705 Axis -0.27615471 -0.96111022 0.00239384 Axis point 97.10390740 0.00000000 147.60605564 Rotation angle (degrees) 160.89634111 Shift along axis 3.70486125 > select clear > select add #12 3 models selected > select subtract #12 Nothing selected > select add #18 2 models selected > ui mousemode right "translate selected models" > view matrix models > #18,-0.44026,0.89457,-0.076979,62.001,0.73377,0.40788,0.54335,-53.269,0.51746,0.18273,-0.83597,33.072 > view matrix models > #18,-0.66849,0.74362,0.012464,104.01,0.38475,0.33143,0.86146,-36.029,0.63647,0.58068,-0.50766,-86.002 > view matrix models > #18,-0.82767,0.4663,-0.31229,210.68,0.51612,0.85098,-0.097231,-0.65141,0.22042,-0.24166,-0.945,151.41 > view matrix models > #18,-0.82767,0.4663,-0.31229,206.05,0.51612,0.85098,-0.097231,1.857,0.22042,-0.24166,-0.945,144.65 > fitmap #18 inMap #12 Fit map emdb 27155 in map cryosparc_P22_J108_map.mrc using 40897 points correlation = 0.7859, correlation about mean = 0.6983, overlap = 1.212e+04 steps = 664, shift = 11.4, angle = 31.5 degrees Position of emdb 27155 (#18) relative to cryosparc_P22_J108_map.mrc (#12) coordinates: Matrix rotation and translation -0.98285240 -0.18409232 0.01054395 292.68774437 -0.18405963 0.97602251 -0.11619861 40.78881732 0.01110014 -0.11614680 -0.99317003 283.43451505 Axis 0.09259549 -0.99398755 0.05843651 Axis point 148.22379338 0.00000000 142.93681996 Rotation angle (degrees) 179.98396987 Shift along axis 3.12091307 > select clear > select add #18 2 models selected > view matrix models > #18,-0.92056,0.3785,0.096511,168.92,0.39061,0.89278,0.22442,-38.938,-0.0012217,0.24429,-0.9697,239.65 > open "C:/Users/Ania/OneDrive - University of > Gdansk/Ania/CEM_images_data_processing/C#68/cryosparc_P7_J100_003_volume_map_sharp.mrc" Opened cryosparc_P7_J100_003_volume_map_sharp.mrc as #2, grid size 420,420,420, pixel 0.86, shown at level 0.0385, step 2, values float32 > hide #!18 models > hide #!12 models > hide #!2 models > show #!2 models > surface dust #2 size 8.6 > volume #2 level 0.07052 > hide #!14 models > lighting soft > volume #2 level 0.06137 > volume #2 step 1 > volume #2 level 0.08252 > open //153.19.18.125/MRSlab/Ania/c#68/J38_map.mrc Opened J38_map.mrc as #3, grid size 500,500,500, pixel 0.86, shown at level 0.0325, step 2, values float32 > surface dust #2 size 8.6 > surface dust #3 size 8.6 > close #1 > select add #3 5 models selected > view matrix models > #18,-0.63165,0.34995,0.69177,109.46,-0.775,-0.30761,-0.55204,381.28,0.019609,-0.88482,0.46551,389.84,#3,0.78069,0.22094,-0.58455,126.28,0.54373,-0.70124,0.46112,151.62,-0.30803,-0.67783,-0.66758,575.47 > view matrix models > #18,-0.63165,0.34995,0.69177,106.73,-0.775,-0.30761,-0.55204,296.07,0.019609,-0.88482,0.46551,307.21,#3,0.78069,0.22094,-0.58455,123.55,0.54373,-0.70124,0.46112,66.412,-0.30803,-0.67783,-0.66758,492.84 > view matrix models > #18,-0.057614,-0.9981,-0.021949,443.11,0.99025,-0.054342,-0.12823,129.77,0.1268,-0.029123,0.9915,67.732,#3,-0.32686,-0.91852,-0.22247,515.87,-0.94453,0.30951,0.10986,275.04,-0.032055,0.24604,-0.96873,314.89 > select add #2 8 models selected > select subtract #3 5 models selected > view matrix models > #18,0.097259,0.98161,0.16426,-102.6,-0.89698,0.014943,0.44181,197.9,0.43123,-0.19031,0.88194,97.55,#2,-0.98895,0.021905,0.14661,322.84,0.027068,-0.94571,0.32388,286.69,0.14574,0.32427,0.93467,-72.418 > view matrix models > #18,-0.45004,0.81425,0.36668,-38.898,-0.8712,-0.49052,0.019991,376.58,0.19614,-0.31046,0.93013,141.99,#2,-0.79482,-0.53693,0.28279,363.82,0.53935,-0.83862,-0.076358,251.59,0.27815,0.09183,0.95614,-57.938 > view matrix models > #18,-0.45004,0.81425,0.36668,-41.191,-0.8712,-0.49052,0.019991,343.37,0.19614,-0.31046,0.93013,105.45,#2,-0.79482,-0.53693,0.28279,361.52,0.53935,-0.83862,-0.076358,218.38,0.27815,0.09183,0.95614,-94.476 > fitmap #2 inMap #3 Fit map cryosparc_P7_J100_003_volume_map_sharp.mrc in map J38_map.mrc using 249249 points correlation = 0.6355, correlation about mean = 0.1849, overlap = 2377 steps = 204, shift = 19.3, angle = 9.57 degrees Position of cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) relative to J38_map.mrc (#3) coordinates: Matrix rotation and translation -0.40390322 0.91473874 0.01073392 124.72718660 0.91422695 0.40403754 -0.03070377 -8.11101118 -0.03242284 -0.00258811 -0.99947087 410.83745025 Axis 0.54583142 0.83783611 -0.00993571 Axis point 68.16781913 -0.00000000 204.65193693 Rotation angle (degrees) 178.52419008 Shift along axis 57.20235577 > view matrix models > #18,0.029639,0.94271,0.33231,-102.12,-0.99762,0.0072169,0.068506,213.58,0.062183,-0.33355,0.94068,118.96,#2,-0.92601,-0.22896,0.30013,341.46,0.20061,-0.97198,-0.12253,322.78,0.31977,-0.05325,0.946,-72.577 > volume #3 level 0.04577 > volume #3 level 0.04958 > fitmap #2 inMap #3 Fit map cryosparc_P7_J100_003_volume_map_sharp.mrc in map J38_map.mrc using 249249 points correlation = 0.6438, correlation about mean = 0.1679, overlap = 2415 steps = 92, shift = 4.43, angle = 3.12 degrees Position of cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) relative to J38_map.mrc (#3) coordinates: Matrix rotation and translation 0.11895607 0.99284773 0.01013987 15.64442337 0.99236236 -0.11854963 -0.03410133 68.64474237 -0.03265535 0.01411899 -0.99936692 407.93945123 Axis 0.74790608 0.66376187 -0.00752820 Axis point 0.00000000 22.97883030 204.40063137 Rotation angle (degrees) 178.15264274 Shift along axis 54.19327307 Correlation = 0.6699, Correlation about mean = 0.1763, Overlap = 2395 > fitmap #2 inMap #3 Fit map cryosparc_P7_J100_003_volume_map_sharp.mrc in map J38_map.mrc using 249249 points correlation = 0.6438, correlation about mean = 0.1679, overlap = 2415 steps = 44, shift = 0.014, angle = 0.0321 degrees Position of cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) relative to J38_map.mrc (#3) coordinates: Matrix rotation and translation 0.11947260 0.99278510 0.01019967 15.54165090 0.99229404 -0.11906104 -0.03430703 68.79160058 -0.03284513 0.01421982 -0.99935927 407.94400337 Axis 0.74807782 0.66356783 -0.00756994 Axis point 0.00000000 23.07542956 204.40664062 Rotation angle (degrees) 178.14132180 Shift along axis 54.18614476 > select clear > hide #!3 models > show #!3 models > hide #!3 models > volume #2 level 0.06666 > show #!12 models > construct #12 Unknown command: construct #12 > combine #12 No structures specified > hide #!12 models > show #!11 models > select add #11 3 models selected > view matrix models > #11,-0.61086,-0.77678,0.15317,268.32,-0.75695,0.6297,0.17466,110.65,-0.23212,-0.0092475,-0.97264,251.64 > view matrix models > #11,-0.61086,-0.77678,0.15317,251.84,-0.75695,0.6297,0.17466,101.21,-0.23212,-0.0092475,-0.97264,222.47 > view matrix models > #11,-0.80022,0.58824,-0.1167,125.43,0.58788,0.8079,0.041202,-82.981,0.11852,-0.035634,-0.99231,182.43 > volume #11 level 0.06081 > view matrix models > #11,-0.79553,0.58922,-0.14122,128.06,0.5912,0.80589,0.0321,-81.885,0.13272,-0.057951,-0.98946,183.24 > view matrix models > #11,-0.7122,0.55732,-0.42682,160.88,0.63984,0.76549,-0.068103,-68.899,0.28877,-0.3216,-0.90177,186.96 > view matrix models > #11,-0.70614,0.53113,-0.46826,169.42,0.54986,0.82799,0.10996,-90.221,0.44611,-0.17983,-0.87672,143.06 > view matrix models > #11,-0.089907,0.84264,-0.53093,53.387,0.99211,0.028985,-0.122,-6.1633,-0.087413,-0.5377,-0.83859,257.95 > view matrix models > #11,-0.089907,0.84264,-0.53093,133.13,0.99211,0.028985,-0.122,12.315,-0.087413,-0.5377,-0.83859,385.22 > view matrix models > #11,-0.089907,0.84264,-0.53093,153.53,0.99211,0.028985,-0.122,32.964,-0.087413,-0.5377,-0.83859,374.78 > fitmap #11 inMap #2 Fit map cryosparc_P22_J91_006_volume_map.mrc in map cryosparc_P7_J100_003_volume_map_sharp.mrc using 38224 points correlation = 0.4491, correlation about mean = 0.1037, overlap = 251.1 steps = 264, shift = 17.9, angle = 24.2 degrees Position of cryosparc_P22_J91_006_volume_map.mrc (#11) relative to cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) coordinates: Matrix rotation and translation 0.18976303 -0.97879184 0.07717848 278.01871811 -0.97762961 -0.19562982 -0.07726135 345.29839719 0.09072118 -0.06079062 -0.99401920 340.43229215 Axis 0.77127834 -0.63416697 0.05442411 Axis point 0.00000000 285.77101045 161.63295230 Rotation angle (degrees) 179.38820983 Shift along axis 13.98070245 > hide #!11 models > show #!11 models > hide #!11 models > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J108_map.mrc" Opened cryosparc_P22_J108_map.mrc as #1, grid size 320,320,320, pixel 0.84, shown at level 0.057, step 2, values float32 > close #1 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J108_map.mrc" Opened cryosparc_P22_J108_map.mrc as #1, grid size 320,320,320, pixel 0.84, shown at level 0.057, step 2, values float32 > color #1 #23e574ff models > volume #1 step 1 > volume #1 level 0.06226 > select add #1 4 models selected > view matrix models > #11,0.057168,0.95066,-0.30493,81.73,0.97562,0.011627,0.21916,8.0243,0.21189,-0.31003,-0.92682,311.09,#1,1,0,0,-22.801,0,1,0,8.7908,0,0,1,-1.4243 > view matrix models > #11,0.092663,0.66397,0.742,-97.005,0.97793,0.079451,-0.19322,80.634,-0.18725,0.74353,-0.64196,207.09,#1,0.41025,0.26074,-0.87391,133.42,0.19036,0.91267,0.36166,-51.59,0.89189,-0.31473,0.32479,12.12 > view matrix models > #11,-0.011557,-0.96131,-0.27522,244.7,-0.88859,-0.11634,0.44369,160.37,-0.45855,0.24968,-0.85287,315.91,#1,-0.83062,-0.082769,0.55066,159.37,-0.2967,-0.77104,-0.56344,366.88,0.47122,-0.63138,0.61589,73.692 > view matrix models > #11,-0.46245,-0.75042,-0.47225,308.97,-0.87251,0.47987,0.091878,175.36,0.15767,0.45453,-0.87666,242.18,#1,-0.59582,-0.5634,0.57235,191.95,0.3783,-0.82553,-0.4188,266.06,0.70844,-0.033015,0.705,-52.224 > view matrix models > #11,-0.50521,-0.82784,-0.24382,276.23,-0.85463,0.51918,0.0080908,186.23,0.11989,0.21247,-0.96979,284.15,#1,-0.74152,-0.55595,0.37558,235.94,0.44223,-0.82598,-0.34954,248.6,0.50455,-0.093099,0.85835,-36.911 > view matrix models > #11,-0.50521,-0.82784,-0.24382,353.11,-0.85463,0.51918,0.0080908,155.29,0.11989,0.21247,-0.96979,321.34,#1,-0.74152,-0.55595,0.37558,312.82,0.44223,-0.82598,-0.34954,217.67,0.50455,-0.093099,0.85835,0.27874 > ui tool show "Volume Viewer" > ui tool show "Model Panel" > ui tool show "Side View" > view matrix models > #11,-0.50521,-0.82784,-0.24382,373.03,-0.85463,0.51918,0.0080908,195.64,0.11989,0.21247,-0.96979,325.5,#1,-0.74152,-0.55595,0.37558,332.74,0.44223,-0.82598,-0.34954,258.01,0.50455,-0.093099,0.85835,4.4461 > fitmap #1 inMap #2 Fit map cryosparc_P22_J108_map.mrc in map cryosparc_P7_J100_003_volume_map_sharp.mrc using 297538 points correlation = 0.7487, correlation about mean = 0.431, overlap = 4291 steps = 268, shift = 9.24, angle = 30.4 degrees Position of cryosparc_P22_J108_map.mrc (#1) relative to cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) coordinates: Matrix rotation and translation 0.97356246 -0.14746213 -0.17444528 93.72145620 0.13523419 0.98757182 -0.08008534 35.58986774 0.18408681 0.05437709 0.98140474 46.63980635 Axis 0.28250491 -0.75327418 0.59394358 Axis point -113.52192237 0.00000000 510.13562037 Rotation angle (degrees) 13.76749366 Shift along axis 27.36925673 > volume #2 level 0.06162 > select clear > hide #!1 models > show #!18 models > hide #!18 models > show #!16 models > hide #!16 models > show #!14 models > select add #14 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #14,0.9833,0.17791,-0.038214,-1.8103,-0.18184,0.96879,-0.16847,119.89,0.0070472,0.17261,0.98497,-8.8541 > view matrix models > #14,0.9833,0.17791,-0.038214,26.287,-0.18184,0.96879,-0.16847,75.659,0.0070472,0.17261,0.98497,-29.403 > view matrix models > #14,-0.91084,0.15924,0.3808,223.14,-0.32914,-0.83692,-0.43731,392.01,0.24906,-0.52365,0.81471,62.017 > view matrix models > #14,-0.91084,0.15924,0.3808,245.98,-0.32914,-0.83692,-0.43731,382.48,0.24906,-0.52365,0.81471,99.694 > fitmap #14 inMap #2 Fit molecule copy of 8d33.pdb (#14) to map cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) using 15272 atoms average map value = 0.1266, steps = 112 shifted from previous position = 3.84 rotated from previous position = 9.86 degrees atoms outside contour = 4874, contour level = 0.061617 Position of copy of 8d33.pdb (#14) relative to cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) coordinates: Matrix rotation and translation 0.84121312 -0.50447350 -0.19459450 164.02097935 0.53062424 0.83938234 0.11779327 -28.56776125 0.10391560 -0.20234579 0.97378528 86.95946488 Axis -0.28486084 -0.26561532 0.92103355 Axis point 126.68300811 308.38599188 0.00000000 Rotation angle (degrees) 34.18880908 Shift along axis 40.95746520 > transparency #2.1 50 > volume #2 color #a1fffc80 > volume #2 color #a5ff8a80 > volume #2 color #ffa58e80 > volume #2 color #f1b7ff80 > color zone #2 near sel & #14 distance 5.16 > select clear > hide #!14 models > volume #2 level 0.0969 > show #!14 models > volume #2 level 0.06666 > volume #2 level 0.0843 > show #17 models > hide #17 models > show #17 models > ui tool show Matchmaker > matchmaker #!14 to #17 Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker copy of AlphaFold E5KNU5_HUMAN, chain A (#17) with copy of 8d33.pdb, chain A (#14), sequence alignment score = 5920.9 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > select add #17 9824 atoms, 10080 bonds, 1239 residues, 1 model selected > view matrix models > #17,0.93054,-0.36483,-0.031397,98.074,0.35704,0.92302,-0.1434,113.7,0.081296,0.12223,0.98917,79.318 > undo [Repeated 3 time(s)] > select add #14 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #14,-0.77133,0.54417,-0.33005,252.75,-0.28673,0.16585,0.94355,-16.372,0.56819,0.82242,0.028104,-19.448 > view matrix models > #14,-0.97724,0.15672,0.14294,257.03,-0.17529,-0.97614,-0.12815,281.01,0.11945,-0.15029,0.9814,40.961 > view matrix models > #14,-0.97724,0.15672,0.14294,296.87,-0.17529,-0.97614,-0.12815,295.33,0.11945,-0.15029,0.9814,53.579 > view matrix models > #14,-0.97724,0.15672,0.14294,319.09,-0.17529,-0.97614,-0.12815,315.3,0.11945,-0.15029,0.9814,43.802 > view matrix models > #14,-0.97724,0.15672,0.14294,300.62,-0.17529,-0.97614,-0.12815,320.26,0.11945,-0.15029,0.9814,44.289 > fitmap #14 inMap #2 Fit molecule copy of 8d33.pdb (#14) to map cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) using 15272 atoms average map value = 0.1266, steps = 236 shifted from previous position = 20.4 rotated from previous position = 20.4 degrees atoms outside contour = 6308, contour level = 0.084297 Position of copy of 8d33.pdb (#14) relative to cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) coordinates: Matrix rotation and translation 0.84128136 -0.50450104 -0.19422775 163.97061720 0.53057033 0.83942352 0.11774260 -28.55952801 0.10363808 -0.20210612 0.97386462 86.94830515 Axis -0.28467290 -0.26510761 0.92123791 Axis point 126.65199993 308.30125578 0.00000000 Rotation angle (degrees) 34.17918426 Shift along axis 40.99343230 > select clear > ui tool show Matchmaker > matchmaker #17 to #14 Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker copy of 8d33.pdb, chain A (#14) with copy of AlphaFold E5KNU5_HUMAN, chain A (#17), sequence alignment score = 5920.9 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > hide #!2 models > color #17::c_alpha_distance>=3.0 lime > color #14 white > show #!2 models > hide #!2 models > show #!2 models > transparency #2.1 0 > transparency #2.1 50 > transparency #2.1 0 > hide #!2 models > hide #!14 models > show #!14 models > color #17::c_alpha_distance>=3.0 cyan > show #17::c_alpha_distance>=3.0 atoms,ribbons > color #14::c_alpha_distance>=3.0 lime [Repeated 1 time(s)] > hide #17 models > show #17 models > hide #17 models > show #!2 models > transparency #2.1 50 > volume #2 level 0.07674 > color zone #2 near #14 distance 5.16 > select #14/T 494 atoms, 552 bonds, 24 residues, 1 model selected > color sel magenta > volume #2 color #ffff0080 > volume #2 color #ffff7f80 > volume #2 color #ffffff80 > select #14/P 451 atoms, 507 bonds, 22 residues, 1 model selected > color sel blue > color zone #2 near sel & #14 distance 5.16 > hide #!2 models > show #!2 models > hide #!14 models > show #!13 models > hide #!13 models > show #!16 models > hide #!16 models > show #!13 models > hide #!13 models > show #!14 models > color zone #2 near sel & #14 distance 5.16 > select clear > color zone #2 near #14 distance 5.16 > transparency #2.1 0 > transparency #2.1 50 > hide #!14 models > show #17 models > hide #17 models > show #15 models > hide #15 models > show #17 models > hide #!2 models > show #!2 models > hide #!2 models > show #!2 models > hide #!2 models > show #!2 models > show #!1 models > hide #17 models > show #17 models > hide #17 models > show #17 models > hide #!2 models > hide #17 models > show #!16 models > hide #!16 models > show #!16 models > transparency #1.1 50 > hide #!16 models > show #!14 models > show #17 models > hide #17 models > color zone #1 near #14 distance 5.04 > show #17 models > hide #17 models > show #!16 models > hide #!16 models > show #15 models > hide #15 models > hide #!14 models > show #!14 models > ui tool show Matchmaker > show #15 models > matchmaker #15 to #14 Parameters --- Chain pairing | bb Alignment algorithm | Needleman-Wunsch Similarity matrix | BLOSUM-62 SS fraction | 0.3 Gap open (HH/SS/other) | 18/18/6 Gap extend | 1 SS matrix | | | H | S | O ---|---|---|--- H | 6 | -9 | -6 S | | 6 | -6 O | | | 4 Iteration cutoff | 2 Matchmaker copy of 8d33.pdb, chain A (#14) with AlphaFold E5KNU5_HUMAN, chain A (#15), sequence alignment score = 5920.9 RMSD between 655 pruned atom pairs is 0.842 angstroms; (across all 974 pairs: 6.019) > hide #!14 models > show #!14 models > hide #!14 models > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 257/cryosparc_P21_J20_class_00_final_volume.mrc" Opened cryosparc_P21_J20_class_00_final_volume.mrc as #4, grid size 128,128,128, pixel 2.85, shown at level 0.119, step 1, values float32 > surface dust #1 size 8.4 > surface dust #4 size 28.5 > hide #!1 models > hide #15 models > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 257/cryosparc_P21_J22_002_volume_map.mrc" Opened cryosparc_P21_J22_002_volume_map.mrc as #5, grid size 500,500,500, pixel 0.73, shown at level 0.0141, step 2, values float32 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 257/cryosparc_P21_J25_003_volume_map.mrc" Opened cryosparc_P21_J25_003_volume_map.mrc as #6, grid size 500,500,500, pixel 0.73, shown at level 0.00992, step 2, values float32 > hide #!5 models > hide #!4 models > volume #6 level 0.02329 > show #!5 models > close #5 > show #!4 models > hide #!4 models > show #!4 models > close #4 > show #!2 models > hide #!2 models > show #!3 models > hide #!3 models > show #!2 models > hide #!2 models > show #!1 models > hide #!1 models > show #!2 models > transparency #2.1#6.1 0 > select add #6 2 models selected > view matrix models #6,1,0,0,15.199,0,1,0,-26.817,0,0,1,-15.091 > view matrix models > #6,0.73198,0.64225,0.22742,-99.969,-0.4318,0.69549,-0.57432,210.83,-0.52703,0.32219,0.78641,55.713 > view matrix models > #6,-0.33642,0.8983,0.28264,33.305,-0.92228,-0.25364,-0.29164,430.97,-0.19029,-0.35879,0.91382,103.16 > view matrix models > #6,-0.33642,0.8983,0.28264,36.446,-0.92228,-0.25364,-0.29164,428.77,-0.19029,-0.35879,0.91382,92.25 > fitmap #6 inMap #2 Fit map cryosparc_P21_J25_003_volume_map.mrc in map cryosparc_P7_J100_003_volume_map_sharp.mrc using 84300 points correlation = 0.5459, correlation about mean = 0.1887, overlap = 232.6 steps = 448, shift = 15.7, angle = 43.3 degrees Position of cryosparc_P21_J25_003_volume_map.mrc (#6) relative to cryosparc_P7_J100_003_volume_map_sharp.mrc (#2) coordinates: Matrix rotation and translation -0.59095906 -0.78468253 -0.18719170 470.41875801 0.80651578 -0.57967610 -0.11622364 150.84667709 -0.01731189 -0.21965648 0.97542368 52.33562298 Axis -0.06450119 -0.10593783 0.99227858 Axis point 198.61286353 197.27160998 0.00000000 Rotation angle (degrees) 126.69861296 Shift along axis 5.60857659 > transparency sel 50 > close #6 > hide #!2 models > show #!3 models > show #!12 models > hide #!12 models > show #!1 models > hide #!3 models > show #!3 models > fitmap #3 inMap #1 Fit map J38_map.mrc in map cryosparc_P22_J108_map.mrc using 65694 points correlation = 0.5932, correlation about mean = 0.2725, overlap = 306 steps = 300, shift = 0.941, angle = 13.2 degrees Position of J38_map.mrc (#3) relative to cryosparc_P22_J108_map.mrc (#1) coordinates: Matrix rotation and translation 0.23890076 0.97053686 -0.03137765 -126.49566840 0.96716006 -0.23493374 0.09699250 -41.02078675 0.08676314 -0.05351882 -0.99479035 320.72265727 Axis -0.78649564 -0.61734371 -0.01764546 Axis point 0.00000000 38.97598022 160.78842714 Rotation angle (degrees) 174.50926555 Shift along axis 119.15291692 > hide #!1 models > show #!11 models > select add #1 2 models selected > view matrix models > #1,-0.90165,-0.062889,0.42786,239.77,0.030107,-0.9961,-0.082965,321.87,0.43141,-0.061924,0.90003,56.742 > select subtract #1 Nothing selected > select add #3 3 models selected > view matrix models > #3,-0.23911,-0.88321,-0.40344,495.08,-0.96339,0.26768,-0.015026,331.86,0.12126,0.38508,-0.91488,294.23 > view matrix models > #3,-0.23911,-0.88321,-0.40344,507.21,-0.96339,0.26768,-0.015026,306.19,0.12126,0.38508,-0.91488,298.17 > view matrix models > #3,-0.80438,-0.5834,0.11234,461.24,0.39221,-0.66347,-0.63717,326.52,0.44626,-0.46846,0.76249,35.974 > view matrix models > #3,0.057233,0.92293,-0.38068,75.614,0.94686,0.070707,0.31378,-147.6,0.31652,-0.37841,-0.86984,397.97 > view matrix models > #3,0.057233,0.92293,-0.38068,43.493,0.94686,0.070707,0.31378,-164.76,0.31652,-0.37841,-0.86984,412.96 > view matrix models > #3,0.057233,0.92293,-0.38068,25.031,0.94686,0.070707,0.31378,-124.14,0.31652,-0.37841,-0.86984,403.59 > fitmap #3 inMap #11 Fit map J38_map.mrc in map cryosparc_P22_J91_006_volume_map.mrc using 65694 points correlation = 0.8216, correlation about mean = 0.6531, overlap = 527.5 steps = 460, shift = 17.3, angle = 24.1 degrees Position of J38_map.mrc (#3) relative to cryosparc_P22_J91_006_volume_map.mrc (#11) coordinates: Matrix rotation and translation -0.95167353 -0.25890283 -0.16518701 426.31634735 0.26145908 -0.96519286 0.00646228 289.13613284 -0.16111041 -0.03703969 0.98624104 -14.57617053 Axis -0.08330630 -0.00780669 0.99649341 Axis point 193.30230800 172.63878194 0.00000000 Rotation angle (degrees) 164.86486418 Shift along axis -52.29709049 > select clear > transparency #3.1#11.1 50 > transparency #3.1#11.1 0 > hide #!11 models > show #!11 models > hide #!3 models > show #!3 models > hide #!3 models > hide #!11 models > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J135_003_volume_map.mrc" Opened cryosparc_P22_J135_003_volume_map.mrc as #4, grid size 320,320,320, pixel 0.84, shown at level 0.0282, step 2, values float32 > volume #4 step 1 > close #4 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J136_002_volume_map.mrc" Opened cryosparc_P22_J136_002_volume_map.mrc as #4, grid size 320,320,320, pixel 0.84, shown at level 0.136, step 2, values float32 > close #4 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J137_003_volume_map.mrc" Opened cryosparc_P22_J137_003_volume_map.mrc as #4, grid size 320,320,320, pixel 0.84, shown at level 0.0285, step 2, values float32 > close #4 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J138_006_volume_map.mrc" Opened cryosparc_P22_J138_006_volume_map.mrc as #4, grid size 320,320,320, pixel 0.84, shown at level 0.0496, step 2, values float32 > volume #4 step 1 > volume #4 level 0.05901 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J138_006_volume_map_sharp.mrc" Opened cryosparc_P22_J138_006_volume_map_sharp.mrc as #5, grid size 320,320,320, pixel 0.84, shown at level 0.0699, step 2, values float32 > surface dust #4 size 8.4 > surface dust #5 size 8.4 > volume #5 step 1 > volume #5 level 0.07564 > color #5 #50eeffff models > color #5 #ff6fffff models > hide #!5 models > show #!4 models > hide #!4 models > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J139_003_volume_map.mrc" Opened cryosparc_P22_J139_003_volume_map.mrc as #6, grid size 320,320,320, pixel 0.84, shown at level 0.0278, step 2, values float32 > close #6 > show #!5 models > volume #5 step 2 > volume #5 step 4 > volume #5 step 1 > open "//153.19.18.125/MRSlab/Ania/CEM_images_data_processing/C# > 196/cryosparc_P22_J140_map_locres.mrc" Opened cryosparc_P22_J140_map_locres.mrc as #6, grid size 320,320,320, pixel 0.84, shown at level 6.14, step 2, values float32 > ui tool show "Surface Color" > color sample #5.1 map #6 palette #ff0000:#ffffff:#0000ff Map values for surface "surface": minimum 0, mean 3.379, maximum 40.73 > hide #!6 models > key red-white-blue :0.0 :20.4 :40.7 showTool true > ui mousemode right "color key" > ui mousemode right "translate selected models" > color sample #5.1 map #6 palette > 2,#0000ff:4,#00ffff:6,#00ff00:8,#ffff00:10,#ff0000 Map values for surface "surface": minimum 0, mean 3.379, maximum 40.73 > key rainbow :2 :4 :6 :8 :10 showTool true > ui mousemode right "color key" > ui mousemode right "translate selected models" > volume #!5 style surface > lighting soft > lighting full > lighting flat > lighting soft > lighting simple > lighting soft > hide #!5 models > show #!4 models > color sample #4.1 map #6 palette > 2,#0000ff:4,#00ffff:6,#00ff00:8,#ffff00:10,#ff0000 Map values for surface "surface": minimum 2.349, mean 3.102, maximum 40.71 > hide #7 models > show #!6 models > hide #!6 models > hide #!4 models > show #!5 models > color single #4.1 > color single #5.1 > hide #!5 models > show #!3 models > hide #!3 models > show #!1 models > show #!13 models > hide #!13 models > show #!14 models > hide #!14 models > show #!14 models > select add #14 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #14,-0.88335,0.24196,0.40144,198.08,-0.36932,-0.88667,-0.27824,395.62,0.28863,-0.39404,0.8726,118.64 > fitmap #14 inMap #1 Fit molecule copy of 8d33.pdb (#14) to map cryosparc_P22_J108_map.mrc (#1) using 15272 atoms average map value = 0.1238, steps = 64 shifted from previous position = 2.82 rotated from previous position = 1.63 degrees atoms outside contour = 3365, contour level = 0.062258 Position of copy of 8d33.pdb (#14) relative to cryosparc_P22_J108_map.mrc (#1) coordinates: Matrix rotation and translation 0.92101308 -0.38942096 0.00928239 61.65929527 0.38049379 0.90449189 0.19266266 -69.46015197 -0.08342273 -0.17391291 0.98122113 31.18236009 Axis -0.42736717 0.10807901 0.89759469 Axis point 208.40236400 109.62410371 0.00000000 Rotation angle (degrees) 25.39628890 Shift along axis -5.86922189 > volume #!1 style mesh [Repeated 1 time(s)] > transparency #1.1 0 > volume #!1 style surface > transparency #1.1 50 > select #14/A 7807 atoms, 8017 bonds, 14 pseudobonds, 976 residues, 3 models selected > hide (#!14 & sel) target a > select #14/A 7807 atoms, 8017 bonds, 14 pseudobonds, 976 residues, 3 models selected > hide (#!14 & sel) target a > cartoon hide (#!14 & sel) > select #14/B 3307 atoms, 3386 bonds, 2 pseudobonds, 411 residues, 2 models selected > cartoon hide (#!14 & sel) > select #14/C 3213 atoms, 3290 bonds, 2 pseudobonds, 399 residues, 2 models selected > cartoon hide (#!14 & sel) > lighting soft > lighting flat > lighting full > lighting soft > transparency #1.1 0 > hide #!1 models > show #!1 models > hide #!1 models > molmap #14 3 Opened copy of 8d33.pdb map 3 as #8, grid size 115,132,159, pixel 1, shown at level 0.111, step 1, values float32 > undo > hide #!8 models > show #!8 models > undo > close #8 > hide #!14 models > show #!14 models > hide #!1 models > preset cartoons/nucleotides ribbons/slabs Using preset: Cartoons/Nucleotides / Ribbons/Slabs Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > delete atoms (#!14 & sel) > delete bonds (#!14 & sel) > select #14/B 3307 atoms, 3386 bonds, 2 pseudobonds, 411 residues, 2 models selected > select #14/A 7807 atoms, 8017 bonds, 14 pseudobonds, 976 residues, 3 models selected > delete atoms (#!14 & sel) > delete bonds (#!14 & sel) > select #14/B 3307 atoms, 3386 bonds, 2 pseudobonds, 411 residues, 2 models selected > delete atoms (#!14 & sel) > delete bonds (#!14 & sel) > preset cartoons/nucleotides ribbons/slabs Using preset: Cartoons/Nucleotides / Ribbons/Slabs Changed 0 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > ui tool show "Command Line Interface" > molmap #14 3 Opened copy of 8d33.pdb map 3 as #8, grid size 62,85,84, pixel 1, shown at level 0.131, step 1, values float32 > color zone #8 near #14 distance 6 > hide #!14 models > hide #!8 models > show #!8 models > show #!1 models > vop subtract #1 #8 minrms True Opened volume difference as #9, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "copy of 8d33.pdb map 3 #8" above level 0.13108 is 0.16013 > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > show #!1 models > hide #!1 models > show #!8 models > close #9 > show #!1 models > show #!5 models > hide #!8 models > show #!8 models > hide #!8 models > select add #5 3 models selected > view matrix models #5,1,0,0,3.9606,0,1,0,-0.79701,0,0,1,5.2733 > view matrix models > #5,0.14612,-0.98927,0.0015414,252.29,-0.9368,-0.13787,0.32156,234.97,-0.3179,-0.048432,-0.94689,321.07 > view matrix models > #5,0.14612,-0.98927,0.0015414,271.68,-0.9368,-0.13787,0.32156,250.12,-0.3179,-0.048432,-0.94689,402.95 > view matrix models > #5,0.14612,-0.98927,0.0015414,237.24,-0.9368,-0.13787,0.32156,192.92,-0.3179,-0.048432,-0.94689,433.54 > hide #!5 models > show #!8 models > hide #!8 models > show #!8 models > hide #!1 models > show #!1 models > show #!14 models > hide #!1 models > show #!13 models > hide #!13 models > hide #!14 models > hide #!8 models > show #!8 models > show #!14 models > hide #!8 models > show #!8 models > hide #!8 models > show #!8 models > molmap #14 5 Opened copy of 8d33.pdb map 5 as #8, grid size 44,58,58, pixel 1.67, shown at level 0.0861, step 1, values float32 > select subtract #5 Nothing selected > hide #!14 models > show #!14 models > hide #!8 models > show #!8 models > color zone #8 near #14 distance 10 > show #!1 models > vop subtract #1 #8 minrms True Opened volume difference as #9, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "copy of 8d33.pdb map 5 #8" above level 0.08611 is 0.2508 > hide #!14 models > show #!1 models > vop subtract #1 #9 minrms True Opened volume difference as #19, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "volume difference #9" above level 0.062258 is 1.0115 > hide #!19 models > show #!19 models > hide #!19 target m > close #19 > show #!8 models > close #8 > show #!9 models > close #9 > show #!1 models > volume gaussian #1 sDev 2 Opened cryosparc_P22_J108_map.mrc gaussian as #8, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 > volume #8 step 2 > volume #8 level 0.03963 > show #!1 models > hide #!8 models > show #!13 models > select add #13 15272 atoms, 15752 bonds, 18 pseudobonds, 1832 residues, 3 models selected > view matrix models > #13,0.98433,0.17265,-0.035848,3.4321,-0.17625,0.96965,-0.16945,64.098,0.005504,0.17311,0.98489,75.568 > view matrix models > #13,-0.59048,0.27963,0.75706,92.497,-0.36467,-0.92928,0.058809,321.28,0.71996,-0.24135,0.6507,78.824 > view matrix models > #13,-0.60844,0.12287,0.78403,113.49,-0.34923,-0.92859,-0.12549,345.37,0.71263,-0.35016,0.6079,101.47 > view matrix models > #13,-0.60844,0.12287,0.78403,129.34,-0.34923,-0.92859,-0.12549,365.65,0.71263,-0.35016,0.6079,92.88 > view matrix models > #13,-0.66186,0.17773,0.72825,136.6,-0.4017,-0.90432,-0.14438,371.9,0.63291,-0.3881,0.66993,100.16 > transparency #1.1 50 > fitmap #13 inMap #1 Fit molecule 8d33.pdb (#13) to map cryosparc_P22_J108_map.mrc (#1) using 15272 atoms average map value = 0.1238, steps = 216 shifted from previous position = 11.4 rotated from previous position = 23.6 degrees atoms outside contour = 3361, contour level = 0.062258 Position of 8d33.pdb (#13) relative to cryosparc_P22_J108_map.mrc (#1) coordinates: Matrix rotation and translation 0.92101073 -0.38942881 0.00918575 61.66961781 0.38051707 0.90447899 0.19267727 -69.45971564 -0.08334242 -0.17396247 0.98121918 31.18043267 Axis -0.42742391 0.10786816 0.89759304 Axis point 208.40372994 109.65150082 0.00000000 Rotation angle (degrees) 25.39743900 Shift along axis -5.86422118 > hide #!1 models > select #13/T 494 atoms, 552 bonds, 24 residues, 1 model selected > delete atoms sel > delete bonds sel > select #14/P 451 atoms, 507 bonds, 22 residues, 1 model selected > delete atoms #13 > delete bonds #13 > undo > show #!1 models > show #!14 models > hide #!14 models > show #!8 models > hide #!8 models > show #!16 models > hide #!16 models > show #!14 models > hide #!14 models > open 8d33 Summary of feedback from opening 8d33 fetched from pdb --- warnings | Expected gap or linking atom in ASP /A:75 for LEU /A:74 Expected gap or linking atom in ASP /A:75 for ILE /A:76 Expected gap or linking atom in ASP /A:122 for PRO /A:121 Expected gap or linking atom in ASP /A:122 for VAL /A:123 Expected gap or linking atom in ASP /A:133 for GLY /A:132 153 messages similar to the above omitted notes | Fetching CCD CA from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/A/CA/CA.cif Fetching CCD DCP from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/P/DCP/DCP.cif 8d33 title: Human mitochondrial DNA polymerase γ ternary complex with GC basepair [more info...] Chain information for 8d33 #9 --- Chain | Description | UniProt A | DNA polymerase subunit gamma-1 | DPOG1_HUMAN 1-1239 B C | DNA polymerase subunit gamma-2, mitochondrial | DPOG2_HUMAN 1-485 P | DNA (5'-D(P*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*TP*AP*C)-3') | T | DNA (25-MER) | Non-standard residues in 8d33 #9 --- CA — calcium ion DCP — 2'-deoxycytidine-5'-triphosphate Associated 8d33 chain A to copy of 8d33.pdb, chain A with 0 mismatches Chains used in RMSD evaluation for alignment 1: 8d33 #9/A, AlphaFold E5KNU5_HUMAN #15/A, copy of 8d33.pdb #16/A > select add #9 15272 atoms, 15752 bonds, 74 pseudobonds, 1832 residues, 4 models selected > show sel cartoons > hide sel atoms > view matrix models #9,1,0,0,-14.254,0,1,0,19.13,0,0,1,93.19 > view matrix models > #9,-0.97124,-0.21352,0.10539,265.48,0.17319,-0.93721,-0.30273,316.17,0.16341,-0.27577,0.94723,118.26 > view matrix models > #9,-0.76572,0.61274,0.19551,106.89,-0.64172,-0.70745,-0.29615,391.59,-0.043146,-0.35224,0.93492,158.63 > view matrix models > #9,-0.76572,0.61274,0.19551,154.66,-0.64172,-0.70745,-0.29615,402.99,-0.043146,-0.35224,0.93492,146.72 > fitmap #9 inMap #1 Fit molecule 8d33 (#9) to map cryosparc_P22_J108_map.mrc (#1) using 15272 atoms average map value = 0.1238, steps = 220 shifted from previous position = 8.56 rotated from previous position = 27.7 degrees atoms outside contour = 3364, contour level = 0.062258 Position of 8d33 (#9) relative to cryosparc_P22_J108_map.mrc (#1) coordinates: Matrix rotation and translation 0.92100761 -0.38943541 0.00921573 61.66526371 0.38051843 0.90447862 0.19267617 -69.45862516 -0.08337038 -0.17394944 0.98121904 31.18281623 Axis -0.42740377 0.10793477 0.89759462 Axis point 208.39637711 109.63944731 0.00000000 Rotation angle (degrees) 25.39767413 Shift along axis -5.86343850 > color zone #1 near sel & #9 distance 5.04 > hide #!1 models > select subtract #9 Nothing selected > select #9/T 494 atoms, 552 bonds, 24 residues, 1 model selected > delete atoms sel > delete bonds sel > select #9/P 451 atoms, 507 bonds, 22 residues, 1 model selected > delete atoms sel > delete bonds sel > molmap #9 6 Opened 8d33 map 6 as #13, grid size 67,69,89, pixel 2, shown at level 0.0938, step 1, values float32 > hide #!13 models > show #!13 models > color zone #13 near #9 distance 12 > hide #!13 models > hide #!9 models > show #!13 models > show #!1 models > fitmap #13 inMap #1 Fit map 8d33 map 6 in map cryosparc_P22_J108_map.mrc using 35736 points correlation = 0.8168, correlation about mean = 0.5567, overlap = 1021 steps = 40, shift = 0.0765, angle = 0.109 degrees Position of 8d33 map 6 (#13) relative to cryosparc_P22_J108_map.mrc (#1) coordinates: Matrix rotation and translation 0.92045279 -0.39076910 0.00812826 62.00346592 0.38206729 0.90395121 0.19208530 -69.52835127 -0.08240858 -0.17369989 0.98134449 31.00391984 Axis -0.42542602 0.10529877 0.89884641 Axis point 208.01935057 109.97617344 0.00000000 Rotation angle (degrees) 25.46150715 Shift along axis -5.83137562 > vop subtract #1 #13 minrms True Opened volume difference as #19, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "8d33 map 6 #13" above level 0.093752 is 0.24944 > close #19 > show #!1 models > show #!8 models > hide #!8 models > show #!8 models > hide #!1 models > show #!13 models > vop subtract #8 #13 minrms True Opened volume difference as #19, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "8d33 map 6 #13" above level 0.093752 is 0.20898 > close #19 > show #!13 models > hide #!13 models > show #!12 models > hide #!12 models > show #!9 models > molmap #9 8 Opened 8d33 map 8 as #13, grid size 55,56,71, pixel 2.67, shown at level 0.083, step 1, values float32 > hide #!13 models > show #!13 models > hide #!9 models > show #!1 models > hide #!1 models > show #!8 models > fitmap #13 inMap #8 Fit map 8d33 map 8 in map cryosparc_P22_J108_map.mrc gaussian using 17223 points correlation = 0.9455, correlation about mean = 0.6444, overlap = 337.9 steps = 48, shift = 0.265, angle = 0.124 degrees Position of 8d33 map 8 (#13) relative to cryosparc_P22_J108_map.mrc gaussian (#8) coordinates: Matrix rotation and translation 0.92090027 -0.38973201 0.00718008 61.76563862 0.38111146 0.90409216 0.19331677 -69.66599759 -0.08183322 -0.17528904 0.98111004 31.14021876 Axis -0.42907773 0.10361646 0.89730481 Axis point 208.84078302 109.73424914 0.00000000 Rotation angle (degrees) 25.43790834 Shift along axis -5.77853557 > vop subtract #8 #13 minrms True Opened volume difference as #19, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Minimum RMS scale factor for "8d33 map 8 #13" above level 0.083027 is 0.2339 > show #!1 models > hide #!1 models > surface dust #19 size 8.4 > show #!1 models > hide #!19 models > show #!19 models > hide #!19 models > show #!19 models > hide #!19 models > show #!19 models > hide #!1 models > show #!14 models > transparency #19.1 50 > show #!16 models > hide #!16 models > show #!16 models > hide #!16 models > show #!9 models > hide #!9 models > hide #!14 models > hide #!19 models > show #!1 models > show #!13 models > vop subtract #1 #13 minrms True Opened volume difference as #20, grid size 320,320,320, pixel 0.84, shown at step 1, values float32 Traceback (most recent call last): File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\toolbar\tool.py", line 205, in callback bundle_info.run_provider(session, name, session.toolbar, display_name=display_name) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\toolshed\info.py", line 386, in run_provider return api._api_caller.run_provider(api, session, name, mgr, **kw) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\toolshed\\__init__.py", line 1289, in run_provider return cls._get_func(api, "run_provider")(session, name, mgr, **kw) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\\__init__.py", line 52, in run_provider shortcuts.run_provider(session, name) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 1335, in run_provider keyboard_shortcuts(session).try_shortcut(name) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 390, in try_shortcut self.run_shortcut(keys) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 408, in run_shortcut sc.run(self.session, status = self._enabled) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 327, in run f(s) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 885, in subtract_maps run(session, 'vop subtract #%s #%s minrms True' % (map1.id_string, map2.id_string)) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\shortcuts\shortcuts.py", line 513, in run run_command(session, command, **kw) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\run.py", line 38, in run results = command.run(text, log=log, return_json=return_json) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2918, in run result = ci.function(session, *args, optional=optional, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 3457, in __call__ return self.cmd.run(text, _used_aliases=_used_aliases, log=log) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\core\commands\cli.py", line 2897, in run result = ci.function(session, **kw_args) File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\map_filter\vopcommand.py", line 912, in volume_subtract sv = combine_op(volumes, 'subtract', on_grid, bounding_grid, subregion, step, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\map_filter\vopcommand.py", line 388, in combine_op cv = [combine_operation(volumes, operation, subregion, step, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\map_filter\vopcommand.py", line 388, in <listcomp> cv = [combine_operation(volumes, operation, subregion, step, File "C:\Program Files\ChimeraX\bin\lib\site- packages\chimerax\map_filter\vopcommand.py", line 447, in combine_operation rv.combine_interpolated_values(v, op, subregion = subregion, step = step, File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\map\volume.py", line 1498, in combine_interpolated_values scale = -minimum_rms_scale(values, m, level) File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\map\volume.py", line 2560, in minimum_rms_scale vc = v.copy() numpy.core._exceptions._ArrayMemoryError: Unable to allocate 125. MiB for an array with shape (320, 320, 320) and data type float32 numpy.core._exceptions._ArrayMemoryError: Unable to allocate 125. MiB for an array with shape (320, 320, 320) and data type float32 File "C:\Program Files\ChimeraX\bin\lib\site-packages\chimerax\map\volume.py", line 2560, in minimum_rms_scale vc = v.copy() See log for complete Python traceback. OpenGL version: 3.3.0 - Build 27.20.100.8280 OpenGL renderer: Intel(R) HD Graphics 630 OpenGL vendor: Intel Python: 3.9.11 Locale: pl_PL.cp1250 Qt version: PyQt6 6.4.2, Qt 6.4.2 Qt runtime version: 6.4.3 Qt platform: windows Manufacturer: Gigabyte Technology Co., Ltd. Model: B250M-DS3H OS: Microsoft Windows 10 Pro (Build 19045) Memory: 8,472,567,808 MaxProcessMemory: 137,438,953,344 CPU: 4 Intel(R) Core(TM) i5-7500 CPU @ 3.40GHz OSLanguage: pl-PL Installed Packages: alabaster: 0.7.13 appdirs: 1.4.4 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: 2023.5.7 cftime: 1.6.2 charset-normalizer: 3.1.0 ChimeraX-AddCharge: 1.5.9.1 ChimeraX-AddH: 2.2.5 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: 1.6.1 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 comtypes: 1.1.14 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: 2022.9.26 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: 23.1 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pickleshare: 0.7.5 Pillow: 9.3.0 pip: 23.0 pkginfo: 1.9.6 platformdirs: 3.5.0 prompt-toolkit: 3.0.38 psutil: 5.9.4 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 pywin32: 305 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 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 WMI: 1.5.1 zipp: 3.15.0
Change History (2)
comment:1 by , 23 months ago
Component: | Unassigned → Volume Data |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → ArrayMemoryError in vop subtract |
comment:2 by , 23 months ago
Cc: | added |
---|---|
Resolution: | → duplicate |
Status: | assigned → closed |
Summary: | ArrayMemoryError in vop subtract → Opening mmCIF file: MemoryError: not enough memory |
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After failing to open PDB 8d33 also failed making map copy. Had 1.5 Gbytes of maps open (12 maps, 320 x 320 x 320 float) on machine with 8 GB memory. Looks like the out-of-memory was most likely the Windows mmCIF memory leak.