Opened 3 years ago
Closed 3 years ago
#8360 closed defect (duplicate)
Volume Viewer: wrapped C/C++ object of type QScrollArea has been deleted
Reported by: | Owned by: | Tom Goddard | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Volume Data | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-10.16-x86_64-i386-64bit ChimeraX Version: 1.4 (2022-06-03 23:39:42 UTC) Description (Describe the actions that caused this problem to occur here) Log: UCSF ChimeraX version: 1.4 (2022-06-03) © 2016-2022 Regents of the University of California. All rights reserved. > open "/Users/bt134/Desktop/DH1285 comparison with open occluded /chimera > session .cxs" Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #1, grid size 320,320,320, pixel 1.08, shown at level 1.03, step 1, values float32 Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #2, grid size 320,320,320, pixel 1.08, shown at level 0.688, step 2, values float32 Log from Tue Jan 17 11:54:39 2023UCSF ChimeraX version: 1.4 (2022-06-03) © 2016-2022 Regents of the University of California. All rights reserved. > open "/Users/bt134/Desktop/DH1285 comparison with open occluded /DH1285 > comaprison with open occluded .cxs" Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #1, grid size 320,320,320, pixel 1.08, shown at level 1.71, step 1, values float32 Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #2, grid size 320,320,320, pixel 1.08, shown at level 0.688, step 2, values float32 Log from Thu Jan 12 14:31:37 2023UCSF ChimeraX version: 1.4 (2022-06-03) © 2016-2022 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open /Users/bt134/Downloads/cryosparc_P23_J20_003_volume_map_sharp(1).mrc Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #1, grid size 320,320,320, pixel 1.08, shown at level 0.688, step 2, values float32 > volume #1 step 1 > volume #1 level 1.939 > volume #1 level 0.4885 > volume #1 level 1.167 > volume #1 level 0.7679 > open /Users/bt134/Downloads/cryosparc_P23_J20_003_volume_map_sharp(1).mrc Opened cryosparc_P23_J20_003_volume_map_sharp(1).mrc as #2, grid size 320,320,320, pixel 1.08, shown at level 0.688, step 2, values float32 > select add #1 2 models selected > select subtract #1 Nothing selected > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > hide #!2 models > fetch 7lok Unknown command: fetch 7lok > open 7lok Summary of feedback from opening 7lok fetched from pdb --- notes | Fetching compressed mmCIF 7lok from http://files.rcsb.org/download/7lok.cif Fetching CCD MPT from http://ligand-expo.rcsb.org/reports/M/MPT/MPT.cif Fetching CCD DPR from http://ligand-expo.rcsb.org/reports/D/DPR/DPR.cif Fetching CCD U2X from http://ligand-expo.rcsb.org/reports/U/U2X/U2X.cif 7lok title: Structure of CD4 mimetic M48U1 in complex with BG505 SOSIP.664 HIV-1 Env trimer and 17b Fab [more info...] Chain information for 7lok #3 --- Chain | Description | UniProt A C E | Envelope glycoprotein BG505 SOSIP.664 gp120 | Q2N0S6_9HIV1 B D F | Envelope Glycoprotein BG505 SOSIP.664 gp41 | Q2N0S6_9HIV1 G H I | M48U1 | J L | 17b Fab Light Chain | K M | 17b Fab Heavy Chain | Non-standard residues in 7lok #3 --- BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose) MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose) MPT — β-mercaptopropionic acid NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE) NH2 — amino group > hide atoms > show atoms > hide atoms > show cartoons > select add #3 14492 atoms, 14797 bonds, 15 pseudobonds, 2031 residues, 2 models selected > ui mousemode right "rotate selected models" > view matrix models > #3,-0.13059,0.74731,0.65151,-29.047,0.95008,0.28214,-0.13319,-21.609,-0.28336,0.6016,-0.74686,204.89 > view matrix models > #3,-0.61262,0.78948,-0.037736,133.5,0.7766,0.59237,-0.21447,-27.631,-0.14696,-0.16069,-0.976,322.99 > ui mousemode right "translate selected models" > view matrix models > #3,-0.61262,0.78948,-0.037736,136.2,0.7766,0.59237,-0.21447,-12.734,-0.14696,-0.16069,-0.976,363.47 > ui mousemode right "rotate selected models" > view matrix models > #3,0.30261,-0.47521,-0.8262,288.19,-0.76262,0.39923,-0.50895,282.64,0.5717,0.78409,-0.24159,22.604 > ui mousemode right "translate selected models" > view matrix models > #3,0.30261,-0.47521,-0.8262,280.48,-0.76262,0.39923,-0.50895,213.79,0.5717,0.78409,-0.24159,10.445 > ui mousemode right "rotate selected models" > view matrix models > #3,0.53096,-0.66403,-0.52644,230.71,-0.46506,0.29098,-0.83609,231.14,0.70837,0.68876,-0.15432,-8.7933 > view matrix models > #3,-0.36264,-0.44608,-0.81824,373.41,0.60124,0.55886,-0.57113,-0.71067,0.71205,-0.69907,0.065536,152.34 > view matrix models > #3,-0.027697,0.61513,-0.78794,172.38,0.81102,-0.44697,-0.37745,80.68,-0.58436,-0.64949,-0.48651,414.57 > view matrix models > #3,-0.0010865,0.27036,-0.96276,241.02,0.96052,-0.26757,-0.076223,-8.8081,-0.27822,-0.92483,-0.2594,375.6 > ui mousemode right "translate selected models" > view matrix models > #3,-0.0010865,0.27036,-0.96276,232.81,0.96052,-0.26757,-0.076223,-43.965,-0.27822,-0.92483,-0.2594,326.67 > volume #1 level 1.712 > ui mousemode right "rotate selected models" > view matrix models > #3,0.90115,-0.2006,-0.3843,83.488,-0.10155,-0.95951,0.26273,160.88,-0.42144,-0.19774,-0.88503,335.16 > view matrix models > #3,0.090864,-0.9901,0.10695,243.25,-0.86116,-0.13206,-0.49088,264.39,0.50015,-0.047498,-0.86464,175.52 > ui mousemode right "translate selected models" > view matrix models > #3,0.090864,-0.9901,0.10695,255.24,-0.86116,-0.13206,-0.49088,296.98,0.50015,-0.047498,-0.86464,274.06 > view matrix models > #3,0.090864,-0.9901,0.10695,259.61,-0.86116,-0.13206,-0.49088,349.66,0.50015,-0.047498,-0.86464,307.05 > view matrix models > #3,0.090864,-0.9901,0.10695,257.31,-0.86116,-0.13206,-0.49088,350.6,0.50015,-0.047498,-0.86464,312.26 > view matrix models > #3,0.090864,-0.9901,0.10695,272.99,-0.86116,-0.13206,-0.49088,342.68,0.50015,-0.047498,-0.86464,238.71 > view matrix models > #3,0.090864,-0.9901,0.10695,266.79,-0.86116,-0.13206,-0.49088,319.15,0.50015,-0.047498,-0.86464,196.96 > ui mousemode right "rotate selected models" > view matrix models > #3,0.20724,-0.97817,0.015569,260.87,-0.68268,-0.156,-0.71387,327.64,0.70071,0.13732,-0.70011,118.49 > ui mousemode right "translate selected models" > view matrix models > #3,0.20724,-0.97817,0.015569,275.86,-0.68268,-0.156,-0.71387,388.79,0.70071,0.13732,-0.70011,130.94 > view matrix models > #3,0.20724,-0.97817,0.015569,281.17,-0.68268,-0.156,-0.71387,393.4,0.70071,0.13732,-0.70011,143.19 > ui mousemode right "rotate selected models" > view matrix models > #3,0.090819,-0.98425,0.1517,279.96,-0.93738,-0.13592,-0.3207,372.65,0.33627,-0.11307,-0.93495,264.86 > ui tool show "Fit in Map" > fitmap #3 inMap #1 Fit molecule 7lok (#3) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 14492 atoms average map value = 0.8631, steps = 92 shifted from previous position = 2.92 rotated from previous position = 5.75 degrees atoms outside contour = 12937, contour level = 1.7124 Position of 7lok (#3) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation 0.00427831 -0.99048182 0.13757708 294.85716881 -0.95670082 -0.04409557 -0.28771359 355.62440780 0.29104162 -0.13038917 -0.94778343 276.72337486 Axis 0.70752461 -0.69016586 0.15192103 Axis point 0.00000000 310.75016137 120.86150951 Rotation angle (degrees) 173.61668886 Shift along axis 5.21897801 > hide #!1 models > select subtract #3 Nothing selected > hide #!3 models > show #!1 models > open 7tfo Summary of feedback from opening 7tfo fetched from pdb --- note | Fetching compressed mmCIF 7tfo from http://files.rcsb.org/download/7tfo.cif 7tfo title: Cryo-EM structure of HIV-1 Env trimer BG505 SOSIP.664 in complex with CD4bs antibody Ab1573 [more info...] Chain information for 7tfo #4 --- Chain | Description | UniProt A B C | Envelope glycoprotein BG505 SOSIP.664 - gp120 | A0A6H1VH54_9PLVG H I P | CD4 binding site antibody Ab1573 - Fab heavy chain | J L Q | CD4 binding site antibody Ab1573 - Fab light chain | X Y Z | Envelope glycoprotein BG505 SOSIP.664 - gp41 | Q2N0S6_9HIV1 Non-standard residues in 7tfo #4 --- BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose) MAN — alpha-D-mannopyranose (alpha-D-mannose; D-mannose; mannose) NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose (N-acetyl-beta-D-glucosamine; 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE) > hide #!4 atoms > show #!4 cartoons > select add #4 17774 atoms, 18180 bonds, 32 pseudobonds, 2304 residues, 2 models selected > ui mousemode right "translate selected models" > view matrix models #4,1,0,0,21.275,0,1,0,-2.8096,0,0,1,-26.697 > ui mousemode right "rotate selected models" > view matrix models > #4,-0.0037782,0.81227,-0.58328,148.8,0.35625,0.5461,0.75819,-114.37,0.93438,-0.20493,-0.29143,75.259 > view matrix models > #4,0.30797,0.94606,-0.10066,-8.5884,0.55607,-0.093134,0.8259,-49.776,0.77198,-0.31033,-0.55475,165.4 > view matrix models > #4,0.51546,0.81643,-0.26027,6.6054,0.52151,-0.057882,0.85128,-54.436,0.67994,-0.57454,-0.45561,208.82 > view matrix models > #4,0.38124,0.8167,-0.4332,58.487,0.60405,0.13467,0.78548,-89.747,0.69984,-0.56114,-0.44198,200.89 > view matrix models > #4,0.30468,0.77927,-0.54763,97.216,0.53424,0.33617,0.77561,-110.95,0.78851,-0.52888,-0.31389,158.69 > view matrix models > #4,0.37216,0.72798,-0.5758,99.647,0.52265,0.3483,0.77815,-111.54,0.76703,-0.59054,-0.25085,161.97 > view matrix models > #4,0.45454,0.79803,-0.39565,43.087,0.3688,0.23571,0.89913,-87.562,0.81079,-0.55461,-0.18717,137.64 > ui mousemode right "translate selected models" > view matrix models > #4,0.45454,0.79803,-0.39565,27.846,0.3688,0.23571,0.89913,-86.062,0.81079,-0.55461,-0.18717,168.84 > view matrix models > #4,0.45454,0.79803,-0.39565,30.673,0.3688,0.23571,0.89913,-75.67,0.81079,-0.55461,-0.18717,171.39 > ui mousemode right "rotate selected models" > view matrix models > #4,0.5229,0.74592,-0.41251,31.153,0.52868,0.095809,0.8434,-68.664,0.66864,-0.6591,-0.34425,239.78 > ui mousemode right "translate selected models" > view matrix models > #4,0.5229,0.74592,-0.41251,30.976,0.52868,0.095809,0.8434,-69.399,0.66864,-0.6591,-0.34425,239.6 > fitmap #4 inMap #1 Fit molecule 7tfo (#4) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 17774 atoms average map value = 0.9561, steps = 100 shifted from previous position = 9.46 rotated from previous position = 6.24 degrees atoms outside contour = 15526, contour level = 1.7124 Position of 7tfo (#4) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation 0.54371381 0.71267947 -0.44324177 35.64510312 0.47355633 0.17551029 0.86309938 -78.01313546 0.69290670 -0.67917900 -0.24206650 212.88359113 Axis -0.79892184 -0.58854085 -0.12386914 Axis point 0.00000000 49.28160965 143.55590335 Rotation angle (degrees) 105.15440794 Shift along axis -8.93344293 > set bgColor white > volume #1 level 0.9043 > volume #1 level 2.644 > volume #1 level 0.8358 > hide #!1 models > show #!1 models > volume #1 level 1.918 > volume #1 level 1.247 > volume #1 level 1.082 > volume #1 level 0.8221 > volume #1 level 1.055 > volume #1 level 0.8221 > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > hide #!1 models > show #!1 models > volume #1 level 1.658 > volume #1 level 1.63 > volume #1 level 1.425 > open 6vy2 Summary of feedback from opening 6vy2 fetched from pdb --- note | Fetching compressed mmCIF 6vy2 from http://files.rcsb.org/download/6vy2.cif 6vy2 title: Cryo-EM structure of M1214_N1 Fab in complex with CH505 TF chimeric SOSIP.664 Env trimer [more info...] Chain information for 6vy2 #5 --- Chain | Description | UniProt A C E | Glycoprotein 120 | A0A0A7I3C6_9HIV1 B D F | Glycoprotein 41 | Q2N0S5_9HIV1 H I J | M1214 N1 Fab heavy chain | L M N | M1214 N1 Fab light chain | Non-standard residues in 6vy2 #5 --- BMA — beta-D-mannopyranose MAN — alpha-D-mannopyranose NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose > hide sel atoms > show sel cartoons > hide #!4 models > select subtract #4 Nothing selected > hide #!1 models > hide #!5 atoms > show #!5 cartoons > open 8vnl Fetching url http://files.rcsb.org/download/8vnl.cif failed: HTTP Error 404: Not Found > open 8v8l Fetching url http://files.rcsb.org/download/8v8l.cif failed: HTTP Error 404: Not Found > open 5v8l Summary of feedback from opening 5v8l fetched from pdb --- note | Fetching compressed mmCIF 5v8l from http://files.rcsb.org/download/5v8l.cif 5v8l title: BG505 SOSIP.664 trimer in complex with broadly neutralizing HIV antibodies 3BNC117 and PGT145 [more info...] Chain information for 5v8l #6 --- Chain | Description | UniProt A C D | gp120 | Q2N0S6_9HIV1 B E F | gp41 | Q2N0S6_9HIV1 G H I | 3BNC117 antibody, heavy chain | J | PGT145 antibody, heavy chain | K L M | 3BNC117 antibody, light chain | N | PGT145 antibody, light chain | Non-standard residues in 5v8l #6 --- BMA — beta-D-mannopyranose MAN — alpha-D-mannopyranose NAG — 2-acetamido-2-deoxy-beta-D-glucopyranose > hide #!5-6 atoms > show #!5-6 cartoons > select add #6 22934 atoms, 23602 bonds, 9 pseudobonds, 2792 residues, 2 models selected > view matrix models #6,1,0,0,2.7674,0,1,0,-0.58143,0,0,1,6.101 > ui mousemode right "rotate selected models" > view matrix models > #6,0.83822,0.54276,-0.052973,-57.331,0.543,-0.83966,-0.011001,237.01,-0.050451,-0.019543,-0.99854,364.05 > ui mousemode right "translate selected models" > view matrix models > #6,0.83822,0.54276,-0.052973,-41.917,0.543,-0.83966,-0.011001,233.62,-0.050451,-0.019543,-0.99854,400.19 > view matrix models > #6,0.83822,0.54276,-0.052973,-42.608,0.543,-0.83966,-0.011001,247.45,-0.050451,-0.019543,-0.99854,413.89 > view matrix models > #6,0.83822,0.54276,-0.052973,-37.988,0.543,-0.83966,-0.011001,252.46,-0.050451,-0.019543,-0.99854,395.8 > ui mousemode right "rotate selected models" > view matrix models > #6,0.81773,0.57117,-0.071342,-36.146,0.56228,-0.76611,0.31133,179.61,0.12317,-0.2947,-0.94762,404.62 > show #!1 models > view matrix models > #6,0.93544,-0.0021275,0.35349,-26.128,-0.22413,-0.77685,0.58844,284.08,0.27336,-0.62968,-0.72717,399.7 > hide #!5 models > view matrix models > #6,0.88426,0.16271,0.43774,-61.295,-0.15468,-0.78239,0.60328,269.27,0.44064,-0.60116,-0.66666,352.04 > view matrix models > #6,-0.27146,0.48864,-0.82918,317.93,-0.90391,-0.42531,0.045284,442.8,-0.33053,0.7618,0.55715,36.831 > ui mousemode right "translate selected models" > view matrix models > #6,-0.27146,0.48864,-0.82918,264.53,-0.90391,-0.42531,0.045284,503.94,-0.33053,0.7618,0.55715,65.052 > ui mousemode right "rotate selected models" > view matrix models > #6,-0.38041,-0.034453,-0.92418,398.26,-0.17127,-0.9794,0.10701,455.53,-0.90882,0.19899,0.36667,312.27 > view matrix models > #6,-0.40058,0.21012,-0.89184,351.41,-0.089608,-0.97767,-0.19009,490.85,-0.91187,0.0037677,0.41047,341.32 > view matrix models > #6,-0.37739,0.16691,-0.91089,358.24,-0.012339,-0.98444,-0.17528,474.77,-0.92597,-0.054909,0.37358,361.2 > view matrix models > #6,-0.39271,0.23464,-0.88923,344.93,0.012474,-0.96546,-0.26026,481.19,-0.91958,-0.1133,0.37622,370.3 > ui mousemode right "translate selected models" > view matrix models > #6,-0.39271,0.23464,-0.88923,410.36,0.012474,-0.96546,-0.26026,405.19,-0.91958,-0.1133,0.37622,335.97 > view matrix models > #6,-0.39271,0.23464,-0.88923,383.24,0.012474,-0.96546,-0.26026,403.09,-0.91958,-0.1133,0.37622,321.95 > view matrix models > #6,-0.39271,0.23464,-0.88923,396.29,0.012474,-0.96546,-0.26026,407.1,-0.91958,-0.1133,0.37622,306.7 > view matrix models > #6,-0.39271,0.23464,-0.88923,394.52,0.012474,-0.96546,-0.26026,406.53,-0.91958,-0.1133,0.37622,307.07 > ui mousemode right "rotate selected models" > view matrix models > #6,-0.7262,0.19202,-0.66013,426.6,-0.026658,-0.96735,-0.25205,412.94,-0.68697,-0.16544,0.7076,215.08 > ui mousemode right "translate selected models" > view matrix models > #6,-0.7262,0.19202,-0.66013,416.86,-0.026658,-0.96735,-0.25205,412.7,-0.68697,-0.16544,0.7076,216.96 > view matrix models > #6,-0.7262,0.19202,-0.66013,418.89,-0.026658,-0.96735,-0.25205,411.27,-0.68697,-0.16544,0.7076,212.85 > fitmap #6 inMap #1 Fit molecule 5v8l (#6) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 22934 atoms average map value = 0.7309, steps = 328 shifted from previous position = 26.7 rotated from previous position = 41.3 degrees atoms outside contour = 19690, contour level = 1.4248 Position of 5v8l (#6) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.92617797 0.37283589 -0.05646020 288.34680479 -0.36321411 -0.92228717 -0.13214338 443.94385354 -0.10134031 -0.10188115 0.98962132 23.03661996 Axis 0.04100364 0.06081006 -0.99730679 Axis point 187.12330200 195.08765485 0.00000000 Rotation angle (degrees) 158.34488025 Shift along axis 15.84494024 > volume #1 level 1.096 > hide #!6 models > show #!6 models > hide #!1 models > show #!1 models > volume #1 level 1.945 > volume #1 level 1.438 > show #!5 models > hide #!6 models > select add #5 44360 atoms, 45642 bonds, 12 pseudobonds, 5414 residues, 4 models selected > ui mousemode right "rotate selected models" > view matrix models > #5,-0.41858,-0.62244,-0.66134,557.43,-0.28967,0.78167,-0.55235,215.24,0.86075,-0.039634,-0.50749,125.62,#6,0.68078,0.48538,-0.54859,145.18,0.040346,-0.77265,-0.63355,466,-0.73138,0.40917,-0.54558,344.52 > ui mousemode right "translate selected models" > view matrix models > #5,-0.41858,-0.62244,-0.66134,542.7,-0.28967,0.78167,-0.55235,253.35,0.86075,-0.039634,-0.50749,48.842,#6,0.68078,0.48538,-0.54859,130.44,0.040346,-0.77265,-0.63355,504.11,-0.73138,0.40917,-0.54558,267.75 > ui mousemode right "rotate selected models" > view matrix models > #5,-0.7761,-0.62622,-0.074338,502.48,-0.52664,0.70846,-0.46981,301.95,0.34687,-0.32547,-0.87963,289.56,#6,0.95379,0.29577,0.053002,-1.0196,0.27805,-0.80189,-0.52882,453.79,-0.11391,0.51912,-0.84708,224.82 > view matrix models > #5,-0.72529,-0.65625,-0.20805,524.52,-0.6358,0.75441,-0.16314,254.68,0.26402,0.013955,-0.96442,252.51,#6,0.93119,0.35603,-0.078223,19.254,0.33139,-0.91621,-0.22524,402.5,-0.15186,0.18382,-0.97116,312.62 > view matrix models > #5,-0.60873,-0.79156,0.05364,476.88,-0.79036,0.59915,-0.12789,312.56,0.069098,-0.12025,-0.99034,326.49,#6,0.84587,0.49762,0.19205,-48.82,0.52736,-0.83423,-0.16112,347.71,0.08004,0.23756,-0.96807,270.22 > ui mousemode right "translate selected models" > view matrix models > #5,-0.60873,-0.79156,0.05364,502.54,-0.79036,0.59915,-0.12789,250.97,0.069098,-0.12025,-0.99034,385.68,#6,0.84587,0.49762,0.19205,-23.161,0.52736,-0.83423,-0.16112,286.11,0.08004,0.23756,-0.96807,329.41 > view matrix models > #5,-0.60873,-0.79156,0.05364,477.29,-0.79036,0.59915,-0.12789,254.49,0.069098,-0.12025,-0.99034,413.68,#6,0.84587,0.49762,0.19205,-48.404,0.52736,-0.83423,-0.16112,289.64,0.08004,0.23756,-0.96807,357.41 > view matrix models > #5,-0.60873,-0.79156,0.05364,465.86,-0.79036,0.59915,-0.12789,245.63,0.069098,-0.12025,-0.99034,372.92,#6,0.84587,0.49762,0.19205,-59.842,0.52736,-0.83423,-0.16112,280.78,0.08004,0.23756,-0.96807,316.65 > view matrix models > #5,-0.60873,-0.79156,0.05364,460.19,-0.79036,0.59915,-0.12789,241.91,0.069098,-0.12025,-0.99034,375.93,#6,0.84587,0.49762,0.19205,-65.511,0.52736,-0.83423,-0.16112,277.06,0.08004,0.23756,-0.96807,319.66 > ui mousemode right "rotate selected models" > view matrix models > #5,-0.66001,-0.6547,0.36844,380.16,-0.57262,0.75588,0.3174,75.733,-0.4863,-0.0014912,-0.87379,444.21,#6,0.81175,0.32021,0.48839,-92.316,0.22364,-0.94297,0.24655,253.5,0.53949,-0.090912,-0.83707,283.2 > fitmap #5 inMap #1 Fit molecule 6vy2 (#5) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 21426 atoms average map value = 0.749, steps = 312 shifted from previous position = 11.6 rotated from previous position = 32 degrees atoms outside contour = 18851, contour level = 1.4385 Position of 6vy2 (#5) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.58594272 -0.81035179 -0.00105156 464.54135065 -0.81035082 0.58594365 -0.00125882 219.85835353 0.00163624 0.00011454 -0.99999865 373.50331866 Axis 0.45500358 -0.89048955 0.00032125 Axis point 288.28171996 0.00000000 186.98511115 Rotation angle (degrees) 179.91353073 Shift along axis 15.70639529 > show #!4 models > hide #!5 models > show #!5 models > hide #!5 models > select subtract #5 22934 atoms, 23602 bonds, 9 pseudobonds, 2792 residues, 2 models selected > select subtract #6 Nothing selected > show #!5 models > hide #!5 models > show #!5 models > hide #!1 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > show #!1 models > hide #!1 models > show #!1 models > hide #!5 models > volume #1 level 1.055 > volume #1 level 1.836 > volume #1 level 1.589 > volume #1 level 1.055 > select add #4/L:24 6 atoms, 5 bonds, 1 residue, 1 model selected > select up 50 atoms, 49 bonds, 8 residues, 1 model selected > select up 834 atoms, 857 bonds, 110 residues, 1 model selected > select add #4/H:37 841 atoms, 863 bonds, 111 residues, 1 model selected > select up 899 atoms, 924 bonds, 117 residues, 1 model selected > select up 1748 atoms, 1790 bonds, 232 residues, 1 model selected > show sel surfaces > volume #1 level 1.137 > hide #!4 models > save /Users/bt134/Desktop/image52.png supersample 3 > save /Users/bt134/Desktop/image53.png supersample 3 > show #!4 models > save /Users/bt134/Desktop/image54.png supersample 3 > save /Users/bt134/Desktop/image55.png supersample 3 > save /Users/bt134/Desktop/image56.png supersample 3 > show #!5 models > hide #!1 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!4 models > show #!4 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > view matrix models > #4,0.56043,0.72703,-0.39667,22.426,0.50885,0.075623,0.85753,-65.82,0.65344,-0.68243,-0.32757,234.66 > fitmap #5 inMap #1 Fit molecule 6vy2 (#5) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 21426 atoms average map value = 0.7489, steps = 28 shifted from previous position = 0.0152 rotated from previous position = 0.0243 degrees atoms outside contour = 16749, contour level = 1.1371 Position of 6vy2 (#5) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.58562853 -0.81057907 -0.00088562 464.50423501 -0.81057802 0.58562920 -0.00130624 219.98392524 0.00157746 -0.00004711 -0.99999875 373.54964392 Axis 0.45517626 -0.89040128 0.00037998 Axis point 288.33533095 0.00000000 186.99937360 Rotation angle (degrees) 179.92075242 Shift along axis 15.69927142 > show #!1 models > fitmap #5 inMap #1 Fit molecule 6vy2 (#5) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 21426 atoms average map value = 0.749, steps = 36 shifted from previous position = 0.0133 rotated from previous position = 0.0117 degrees atoms outside contour = 16752, contour level = 1.1371 Position of 6vy2 (#5) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.58554404 -0.81063992 -0.00104586 464.51942382 -0.81063875 0.58554497 -0.00138061 220.02525704 0.00173157 0.00003941 -0.99999850 373.49976636 Axis 0.45522254 -0.89037761 0.00037658 Axis point 288.34220229 0.00000000 186.99671048 Rotation angle (degrees) 179.91063598 Shift along axis 15.69479960 > fitmap #5 inMap #1 Fit molecule 6vy2 (#5) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 21426 atoms average map value = 0.749, steps = 28 shifted from previous position = 0.0143 rotated from previous position = 0.00855 degrees atoms outside contour = 16753, contour level = 1.1371 Position of 6vy2 (#5) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.58556603 -0.81062419 -0.00092494 464.49219300 -0.81062315 0.58556676 -0.00129746 220.01422539 0.00159336 -0.00000997 -0.99999873 373.53916227 Axis 0.45521057 -0.89038374 0.00036709 Axis point 288.33914721 -0.00000000 186.99653520 Rotation angle (degrees) 179.91897413 Shift along axis 15.68178759 > hide #!1 models > view matrix models > #4,0.56057,0.7334,-0.38455,19.232,0.50041,0.069998,0.86296,-64.392,0.65981,-0.67618,-0.32776,232.57 > ui mousemode right "translate selected models" > view matrix models > #4,0.56057,0.7334,-0.38455,19.725,0.50041,0.069998,0.86296,-66.522,0.65981,-0.67618,-0.32776,234.27 > select add #4 17774 atoms, 18180 bonds, 32 pseudobonds, 2304 residues, 4 models selected > select subtract #4 2 models selected > show #!1 models > volume #1 level 1.712 > hide #!1 models > save /Users/bt134/Desktop/image53.png supersample 3 > show #!1 models > save /Users/bt134/Desktop/image54.png supersample 3 > hide #!1 models > hide #!5 models > show #!5 models > hide #!5 models > save /Users/bt134/Desktop/image55.png supersample 3 > hide #!4 models > show #!5 models > show #!4 models > hide #!4 models > save /Users/bt134/Desktop/image56.png supersample 3 > show #!4 models > show #!1 models > save /Users/bt134/Desktop/image57.png supersample 3 > hide #!4 models > hide #!5 models > save /Users/bt134/Desktop/image53.png supersample 3 > show #!5 models > hide #!5 models > save "/Users/bt134/Desktop/DH1285 comaprison with open occluded .cxs" ——— End of log from Thu Jan 12 14:31:37 2023 ——— opened ChimeraX session Traceback (most recent call last): File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/map/volume_viewer.py", line 1530, in <lambda> QTimer.singleShot(200, lambda f=f: f.setMinimumHeight(50)) RuntimeError: wrapped C/C++ object of type QScrollArea has been deleted Populating font family aliases took 310 ms. Replace uses of missing font family ".AppleSystemUIFont" with one that exists to avoid this cost. RuntimeError: wrapped C/C++ object of type QScrollArea has been deleted File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/map/volume_viewer.py", line 1530, in QTimer.singleShot(200, lambda f=f: f.setMinimumHeight(50)) See log for complete Python traceback. > show #!4 models > volume #1 level 1.069 > hide #!4 models > show #!4 models > show #!5 models > hide #!5 models > show #!5 models > hide #!4 models > hide #!5 models > show #!3 models > select add #3 14492 atoms, 14797 bonds, 15 pseudobonds, 2031 residues, 2 models selected > color sel bypolymer > color sel byhetero > coulombic sel Using Amber 20 recommended default charges and atom types for standard residues Assigning partial charges to residue HIS (net charge -3) with am1-bcc method Running ANTECHAMBER command: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp_kape63b/ante.in.mol2 -fi mol2 -o /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp_kape63b/ante.out.mol2 -fo mol2 -c bcc -nc -3 -j 5 -s 2 -dr n (HIS) `` (HIS) `Welcome to antechamber 20.0: molecular input file processor.` (HIS) `` (HIS) `Info: Finished reading file (/var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp_kape63b/ante.in.mol2); atoms read (19), bonds read (18).` (HIS) `Info: Determining atomic numbers from atomic symbols which are case sensitive.` (HIS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac` (HIS) `` (HIS) `` (HIS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff` (HIS) `Info: Total number of electrons: 78; net charge: -3` (HIS) `` (HIS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` (HIS) `` (HIS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /Applications/ChimeraX-1.4.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT -s 2 -j 1` (HIS) `` (HIS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC` (HIS) `` Charges for residue HIS determined Assigning partial charges to residue DPR (net charge +0) with am1-bcc method Running ANTECHAMBER command: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpmfw_b5o5/ante.in.mol2 -fi mol2 -o /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpmfw_b5o5/ante.out.mol2 -fo mol2 -c bcc -nc 0 -j 5 -s 2 -dr n (DPR) `` (DPR) `Welcome to antechamber 20.0: molecular input file processor.` (DPR) `` (DPR) `Info: Finished reading file (/var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpmfw_b5o5/ante.in.mol2); atoms read (26), bonds read (26).` (DPR) `Info: Determining atomic numbers from atomic symbols which are case sensitive.` (DPR) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac` (DPR) `` (DPR) `` (DPR) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff` (DPR) `Info: Total number of electrons: 92; net charge: 0` (DPR) `` (DPR) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` (DPR) `` (DPR) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /Applications/ChimeraX-1.4.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT -s 2 -j 1` (DPR) `` (DPR) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC` (DPR) `` Charges for residue DPR determined Assigning partial charges to residue MPT (net charge +0) with am1-bcc method Running ANTECHAMBER command: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp7q4e6sy6/ante.in.mol2 -fi mol2 -o /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp7q4e6sy6/ante.out.mol2 -fo mol2 -c bcc -nc 0 -j 5 -s 2 -dr n (MPT) `` (MPT) `Welcome to antechamber 20.0: molecular input file processor.` (MPT) `` (MPT) `Info: Finished reading file (/var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmp7q4e6sy6/ante.in.mol2); atoms read (15), bonds read (14).` (MPT) `Info: Determining atomic numbers from atomic symbols which are case sensitive.` (MPT) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac` (MPT) `` (MPT) `` (MPT) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff` (MPT) `Info: Total number of electrons: 48; net charge: 0` (MPT) `` (MPT) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` (MPT) `` (MPT) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /Applications/ChimeraX-1.4.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT -s 2 -j 1` (MPT) `` (MPT) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC` (MPT) `` Charges for residue MPT determined Assigning partial charges to residue U2X (net charge +0) with am1-bcc method Running ANTECHAMBER command: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmppely1l6s/ante.in.mol2 -fi mol2 -o /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmppely1l6s/ante.out.mol2 -fo mol2 -c bcc -nc 0 -j 5 -s 2 -dr n (U2X) `` (U2X) `Welcome to antechamber 20.0: molecular input file processor.` (U2X) `` (U2X) `Info: Finished reading file (/var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmppely1l6s/ante.in.mol2); atoms read (52), bonds read (53).` (U2X) `Info: Determining atomic numbers from atomic symbols which are case sensitive.` (U2X) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac` (U2X) `` (U2X) `` (U2X) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff` (U2X) `Info: Total number of electrons: 180; net charge: 0` (U2X) `` (U2X) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` (U2X) `` (U2X) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /Applications/ChimeraX-1.4.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT -s 2 -j 1` (U2X) `` (U2X) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC` (U2X) `` Charges for residue U2X determined Assigning partial charges to residue MPT+CYS (net charge +0) with am1-bcc method Running ANTECHAMBER command: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/antechamber -ek qm_theory='AM1', -i /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpzmzp28vx/ante.in.mol2 -fi mol2 -o /var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpzmzp28vx/ante.out.mol2 -fo mol2 -c bcc -nc 0 -j 5 -s 2 -dr n (MPT+CYS) `` (MPT+CYS) `Welcome to antechamber 20.0: molecular input file processor.` (MPT+CYS) `` (MPT+CYS) `Info: Finished reading file (/var/folders/91/zk_5t7ss6j52jf5cfv13_d6w0000gp/T/tmpzmzp28vx/ante.in.mol2); atoms read (37), bonds read (36).` (MPT+CYS) `Info: Determining atomic numbers from atomic symbols which are case sensitive.` (MPT+CYS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/bondtype -j part -i ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac` (MPT+CYS) `` (MPT+CYS) `` (MPT+CYS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -i ANTECHAMBER_AC.AC0 -o ANTECHAMBER_AC.AC -p gaff` (MPT+CYS) `Info: Total number of electrons: 156; net charge: 0` (MPT+CYS) `` (MPT+CYS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/sqm -O -i sqm.in -o sqm.out` (MPT+CYS) `` (MPT+CYS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/am1bcc -i ANTECHAMBER_AM1BCC_PRE.AC -o ANTECHAMBER_AM1BCC.AC -f ac -p /Applications/ChimeraX-1.4.app/Contents/bin/amber20/dat/antechamber/BCCPARM.DAT -s 2 -j 1` (MPT+CYS) `` (MPT+CYS) `Running: /Applications/ChimeraX-1.4.app/Contents/bin/amber20/bin/atomtype -f ac -p bcc -o ANTECHAMBER_AM1BCC.AC -i ANTECHAMBER_AM1BCC_PRE.AC` (MPT+CYS) `` Charges for residue MPT+CYS determined Coulombic values for 7lok_A SES surface #3.2: minimum, -19.44, mean -0.81, maximum 12.82 Coulombic values for 7lok_B SES surface #3.3: minimum, -20.70, mean -0.89, maximum 10.01 Coulombic values for 7lok_C SES surface #3.4: minimum, -16.44, mean -0.71, maximum 12.49 Coulombic values for 7lok_D SES surface #3.5: minimum, -16.36, mean -0.63, maximum 9.71 Coulombic values for 7lok_E SES surface #3.6: minimum, -39.79, mean -8.55, maximum 4.16 Coulombic values for 7lok_F SES surface #3.7: minimum, -22.72, mean -2.58, maximum 6.30 Coulombic values for 7lok_G SES surface #3.8: minimum, -2.30, mean 2.50, maximum 8.79 Coulombic values for 7lok_H SES surface #3.9: minimum, -2.38, mean 2.57, maximum 8.79 Coulombic values for 7lok_I SES surface #3.10: minimum, -23.65, mean -6.58, maximum 1.90 Coulombic values for 7lok_J SES surface #3.11: minimum, -10.76, mean 0.02, maximum 10.01 Coulombic values for 7lok_K SES surface #3.12: minimum, -21.20, mean -1.72, maximum 12.83 Coulombic values for 7lok_L SES surface #3.13: minimum, -10.02, mean 0.28, maximum 9.67 Coulombic values for 7lok_M SES surface #3.14: minimum, -17.87, mean -1.51, maximum 12.40 To also show corresponding color key, enter the above coulombic command and add key true > select subtract #3 13 models selected > volume #1 level 1.712 > volume #1 level 0.7673 > volume #1 level 1.041 > select add #3 14492 atoms, 14797 bonds, 15 pseudobonds, 2031 residues, 2 models selected > show sel surfaces > surface > select subtract #3 13 models selected > hide #!1 models > coulombic #!3 Coulombic values for 7lok_A SES surface #3.2: minimum, -19.44, mean -0.81, maximum 12.82 Coulombic values for 7lok_B SES surface #3.3: minimum, -20.70, mean -0.89, maximum 10.01 Coulombic values for 7lok_C SES surface #3.4: minimum, -16.44, mean -0.71, maximum 12.49 Coulombic values for 7lok_D SES surface #3.5: minimum, -16.36, mean -0.63, maximum 9.71 Coulombic values for 7lok_E SES surface #3.6: minimum, -39.79, mean -8.55, maximum 4.16 Coulombic values for 7lok_F SES surface #3.7: minimum, -22.72, mean -2.58, maximum 6.30 Coulombic values for 7lok_G SES surface #3.8: minimum, -2.30, mean 2.50, maximum 8.79 Coulombic values for 7lok_H SES surface #3.9: minimum, -2.38, mean 2.57, maximum 8.79 Coulombic values for 7lok_I SES surface #3.10: minimum, -23.65, mean -6.58, maximum 1.90 Coulombic values for 7lok_J SES surface #3.11: minimum, -10.76, mean 0.02, maximum 10.01 Coulombic values for 7lok_K SES surface #3.12: minimum, -21.20, mean -1.72, maximum 12.83 Coulombic values for 7lok_L SES surface #3.13: minimum, -10.02, mean 0.28, maximum 9.67 Coulombic values for 7lok_M SES surface #3.14: minimum, -17.87, mean -1.51, maximum 12.40 To also show corresponding color key, enter the above coulombic command and add key true > coulombic #!3 Coulombic values for 7lok_A SES surface #3.2: minimum, -19.44, mean -0.81, maximum 12.82 Coulombic values for 7lok_B SES surface #3.3: minimum, -20.70, mean -0.89, maximum 10.01 Coulombic values for 7lok_C SES surface #3.4: minimum, -16.44, mean -0.71, maximum 12.49 Coulombic values for 7lok_D SES surface #3.5: minimum, -16.36, mean -0.63, maximum 9.71 Coulombic values for 7lok_E SES surface #3.6: minimum, -39.79, mean -8.55, maximum 4.16 Coulombic values for 7lok_F SES surface #3.7: minimum, -22.72, mean -2.58, maximum 6.30 Coulombic values for 7lok_G SES surface #3.8: minimum, -2.30, mean 2.50, maximum 8.79 Coulombic values for 7lok_H SES surface #3.9: minimum, -2.38, mean 2.57, maximum 8.79 Coulombic values for 7lok_I SES surface #3.10: minimum, -23.65, mean -6.58, maximum 1.90 Coulombic values for 7lok_J SES surface #3.11: minimum, -10.76, mean 0.02, maximum 10.01 Coulombic values for 7lok_K SES surface #3.12: minimum, -21.20, mean -1.72, maximum 12.83 Coulombic values for 7lok_L SES surface #3.13: minimum, -10.02, mean 0.28, maximum 9.67 Coulombic values for 7lok_M SES surface #3.14: minimum, -17.87, mean -1.51, maximum 12.40 To also show corresponding color key, enter the above coulombic command and add key true > select add #3 14492 atoms, 14797 bonds, 15 pseudobonds, 2031 residues, 2 models selected > mlp sel Map values for surface "7lok_A SES surface": minimum -27.73, mean -4.474, maximum 23.6 Map values for surface "7lok_B SES surface": minimum -28.14, mean -2.653, maximum 22.8 Map values for surface "7lok_C SES surface": minimum -27.38, mean -4.204, maximum 23.62 Map values for surface "7lok_D SES surface": minimum -27.86, mean -2.494, maximum 22.56 Map values for surface "7lok_E SES surface": minimum -27.97, mean -9.859, maximum 7.163 Map values for surface "7lok_F SES surface": minimum -25.55, mean -9.252, maximum 5.033 Map values for surface "7lok_G SES surface": minimum -24.08, mean 16.82, maximum 161.2 Map values for surface "7lok_H SES surface": minimum -24.53, mean 16.84, maximum 147.7 Map values for surface "7lok_I SES surface": minimum -24.56, mean 15.64, maximum 149.4 Map values for surface "7lok_J SES surface": minimum -27.04, mean -5.444, maximum 23.4 Map values for surface "7lok_K SES surface": minimum -26.83, mean -4.048, maximum 24.19 Map values for surface "7lok_L SES surface": minimum -25.95, mean -4.671, maximum 22.4 Map values for surface "7lok_M SES surface": minimum -27.43, mean -4.131, maximum 23.08 To also show corresponding color key, enter the above mlp command and add key true > color sel bychain > show #!1 models > volume #1 level 0.8495 > volume #1 level 0.9728 > select subtract #3 13 models selected > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!1 models > show #!1 models > hide #!3 models > show #!4 models > save /Users/bt134/Desktop/image1.png supersample 3 > hide #!1 models > save /Users/bt134/Desktop/image2.png supersample 3 > show #!1 models > hide #!4 models > save /Users/bt134/Desktop/image3.png supersample 3 > show #!4 models > volume #1 level 0.9317 > hide #!4 models > show #!4 models > hide #!1 models > hide #!4 cartoons > show #!4 cartoons > style #!4 stick Changed 17774 atom styles > hide #!4 cartoons > show #!4 atoms > hide surfaces > hide #!4 cartoons > select add #4 17774 atoms, 18180 bonds, 32 pseudobonds, 2304 residues, 2 models selected > show sel cartoons > hide sticks Expected a collection of one of 'atoms', 'bonds', 'cartoons', 'models', 'pbonds', 'pseudobonds', 'ribbons', or 'surfaces' or a keyword > show sel atoms > hide sel atoms > select subtract #4 12 models selected > save /Users/bt134/Desktop/image4.png supersample 3 > show #!3 models > hide #!3 models > show #!5 models > hide #!5 models > save /Users/bt134/Desktop/image5.png supersample 3 > show #!5 models > hide #!4 models > select add #5 21426 atoms, 22040 bonds, 3 pseudobonds, 2622 residues, 2 models selected > color sel bychain > select subtract #5 12 models selected > save /Users/bt134/Desktop/image6.png supersample 3 > show #!4 models > set bgColor white > save /Users/bt134/Desktop/image7.png supersample 3 > show #!1 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > volume #1 level 1.274 > volume #1 level 1.534 > ui tool show "Fit in Map" > fitmap #4 inMap #1 Fit molecule 7tfo (#4) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 17774 atoms average map value = 0.9561, steps = 100 shifted from previous position = 2.67 rotated from previous position = 6.35 degrees atoms outside contour = 14499, contour level = 1.5344 Position of 7tfo (#4) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation 0.54379815 0.71263251 -0.44321380 35.63858772 0.47340022 0.17559377 0.86316804 -78.01106927 0.69294719 -0.67920669 -0.24187282 212.85373229 Axis -0.79893125 -0.58851750 -0.12391940 Axis point 0.00000000 49.28937720 143.54802473 Rotation angle (degrees) 105.14367884 Shift along axis -8.93860919 > fitmap #5 inMap #1 Fit molecule 6vy2 (#5) to map cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) using 21426 atoms average map value = 0.749, steps = 36 shifted from previous position = 0.00649 rotated from previous position = 0.00512 degrees atoms outside contour = 19346, contour level = 1.5344 Position of 6vy2 (#5) relative to cryosparc_P23_J20_003_volume_map_sharp(1).mrc (#1) coordinates: Matrix rotation and translation -0.58559245 -0.81060512 -0.00090287 464.48906233 -0.81060421 0.58559315 -0.00121715 219.98187151 0.00151534 0.00001912 -0.99999885 373.54950000 Axis 0.45519609 -0.89039115 0.00033637 Axis point 288.33294792 0.00000000 186.99067929 Rotation angle (degrees) 179.92219505 Shift along axis 15.68934332 > volume #1 level 1.904 > save /Users/bt134/Desktop/image8.png supersample 3 > save /Users/bt134/Desktop/image9.png supersample 3 > hide #!5 models > hide #!1 models > select add #4 17774 atoms, 18180 bonds, 32 pseudobonds, 2304 residues, 2 models selected > mlp sel Map values for surface "7tfo_A SES surface": minimum -29.5, mean -4.546, maximum 26.78 Map values for surface "7tfo_B SES surface": minimum -29.92, mean -4.413, maximum 24.84 Map values for surface "7tfo_C SES surface": minimum -29.32, mean -4.1, maximum 26.15 Map values for surface "7tfo_H SES surface": minimum -26.36, mean -4.587, maximum 22.48 Map values for surface "7tfo_I SES surface": minimum -25.09, mean -4.363, maximum 22.18 Map values for surface "7tfo_J SES surface": minimum -27.25, mean -5.031, maximum 24.46 Map values for surface "7tfo_L SES surface": minimum -32.59, mean -5.135, maximum 22.79 Map values for surface "7tfo_P SES surface": minimum -25.2, mean -3.991, maximum 23.62 Map values for surface "7tfo_Q SES surface": minimum -29.16, mean -5.854, maximum 23.3 Map values for surface "7tfo_X SES surface": minimum -27.85, mean -2.548, maximum 23.3 Map values for surface "7tfo_Y SES surface": minimum -25.82, mean -2.922, maximum 22.35 Map values for surface "7tfo_Z SES surface": minimum -26.84, mean -2.754, maximum 22.98 To also show corresponding color key, enter the above mlp command and add key true > show sel surfaces > color sel bychain > show #!1 models > volume #1 level 1.233 > volume #1 level 1.028 > set bgColor white > hide #!4 models > select subtract #4 12 models selected > save /Users/bt134/Desktop/image10.png supersample 3 > show #!4 models > hide #!1 models > save /Users/bt134/Desktop/image11.png supersample 3 > show #!1 models > save /Users/bt134/Desktop/image10.png supersample 3 > hide #!1 models > show #!1 models > hide #!4 models > save "/Users/bt134/Desktop/DH1285 comparison with open occluded /chimera > session .cxs" ——— End of log from Tue Jan 17 11:54:39 2023 ——— opened ChimeraX session Traceback (most recent call last): File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/map/volume_viewer.py", line 1530, in <lambda> QTimer.singleShot(200, lambda f=f: f.setMinimumHeight(50)) RuntimeError: wrapped C/C++ object of type QScrollArea has been deleted Populating font family aliases took 294 ms. Replace uses of missing font family ".AppleSystemUIFont" with one that exists to avoid this cost. RuntimeError: wrapped C/C++ object of type QScrollArea has been deleted File "/Applications/ChimeraX-1.4.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/map/volume_viewer.py", line 1530, in QTimer.singleShot(200, lambda f=f: f.setMinimumHeight(50)) See log for complete Python traceback. OpenGL version: 4.1 Metal - 76.3 OpenGL renderer: Apple M1 Pro OpenGL vendor: Apple Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.3.0, Qt 6.3.0 Qt runtime version: 6.3.0 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro18,1 Processor Name: Unknown Processor Speed: 2.4 GHz Number of Processors: 1 Total Number of Cores: 10 L2 Cache: 20 MB Memory: 16 GB Software: System Software Overview: System Version: macOS 12.5.1 (21G83) Kernel Version: Darwin 21.6.0 Time since boot: 54 days 4:25 Graphics/Displays: Apple M1 Pro: Chipset Model: Apple M1 Pro Type: GPU Bus: Built-In Total Number of Cores: 16 Vendor: Apple (0x106b) Metal Family: Supported, Metal GPUFamily Apple 7 Displays: Color LCD: Display Type: Built-in Liquid Retina XDR Display Resolution: 3456 x 2234 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: alabaster: 0.7.12 appdirs: 1.4.4 appnope: 0.1.3 Babel: 2.10.1 backcall: 0.2.0 blockdiag: 3.0.0 certifi: 2021.10.8 cftime: 1.6.0 charset-normalizer: 2.0.12 ChimeraX-AddCharge: 1.2.3 ChimeraX-AddH: 2.1.11 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2.1 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.4.3 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.39.1 ChimeraX-AtomicLibrary: 7.0 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.1 ChimeraX-BasicActions: 1.1 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 2.1.1 ChimeraX-BondRot: 2.0 ChimeraX-BugReporter: 1.0 ChimeraX-BuildStructure: 2.7 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.1 ChimeraX-ButtonPanel: 1.0 ChimeraX-CageBuilder: 1.0 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.2 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.4 ChimeraX-Clipper: 0.18.0 ChimeraX-ColorActions: 1.0 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.1 ChimeraX-CommandLine: 1.2.3 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0 ChimeraX-Core: 1.4 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.1 ChimeraX-DistMonitor: 1.1.5 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0 ChimeraX-FunctionKey: 1.0 ChimeraX-Geometry: 1.2 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.1 ChimeraX-Hbonds: 2.1.2 ChimeraX-Help: 1.2 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.1 ChimeraX-ISOLDE: 1.4 ChimeraX-ItemsInspection: 1.0 ChimeraX-Label: 1.1.1 ChimeraX-ListInfo: 1.1.1 ChimeraX-Log: 1.1.5 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.8.1 ChimeraX-Map: 1.1 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1 ChimeraX-Markers: 1.0 ChimeraX-Mask: 1.0 ChimeraX-MatchMaker: 2.0.6 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.1 ChimeraX-Meeting: 1.0 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.7 ChimeraX-MMTF: 2.1 ChimeraX-Modeller: 1.5.5 ChimeraX-ModelPanel: 1.3.2 ChimeraX-ModelSeries: 1.0 ChimeraX-Mol2: 2.0 ChimeraX-Morph: 1.0 ChimeraX-MouseModes: 1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.2 ChimeraX-OpenCommand: 1.9 ChimeraX-PDB: 2.6.6 ChimeraX-PDBBio: 1.0 ChimeraX-PDBLibrary: 1.0.2 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1 ChimeraX-PubChem: 2.1 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1 ChimeraX-RemoteControl: 1.0 ChimeraX-ResidueFit: 1.0 ChimeraX-RestServer: 1.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 2.0.1 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 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.6 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0 ChimeraX-Shortcuts: 1.1 ChimeraX-ShowAttr: 1.0 ChimeraX-ShowSequences: 1.0 ChimeraX-SideView: 1.0 ChimeraX-Smiles: 2.1 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.8 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.0.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0 ChimeraX-SwapRes: 2.1.1 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.1 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Tug: 1.0 ChimeraX-UI: 1.18.3 ChimeraX-uniprot: 2.2 ChimeraX-UnitCell: 1.0 ChimeraX-ViewDockX: 1.1.2 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0 ChimeraX-WebServices: 1.1.0 ChimeraX-Zone: 1.0 colorama: 0.4.4 cxservices: 1.2 cycler: 0.11.0 Cython: 0.29.26 debugpy: 1.6.0 decorator: 5.1.1 docutils: 0.17.1 entrypoints: 0.4 filelock: 3.4.2 fonttools: 4.33.3 funcparserlib: 1.0.0 grako: 3.16.5 h5py: 3.7.0 html2text: 2020.1.16 idna: 3.3 ihm: 0.27 imagecodecs: 2021.11.20 imagesize: 1.3.0 ipykernel: 6.6.1 ipython: 7.31.1 ipython-genutils: 0.2.0 jedi: 0.18.1 Jinja2: 3.0.3 jupyter-client: 7.1.0 jupyter-core: 4.10.0 kiwisolver: 1.4.2 line-profiler: 3.4.0 lxml: 4.7.1 lz4: 3.1.10 MarkupSafe: 2.1.1 matplotlib: 3.5.1 matplotlib-inline: 0.1.3 msgpack: 1.0.3 nest-asyncio: 1.5.5 netCDF4: 1.5.8 networkx: 2.6.3 numexpr: 2.8.1 numpy: 1.22.1 openvr: 1.16.802 packaging: 21.0 ParmEd: 3.4.3 parso: 0.8.3 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 9.0.1 pip: 21.3.1 pkginfo: 1.8.2 prompt-toolkit: 3.0.29 psutil: 5.9.0 ptyprocess: 0.7.0 pycollada: 0.7.2 pydicom: 2.2.2 Pygments: 2.11.2 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 PyQt6-commercial: 6.3.0 PyQt6-Qt6: 6.3.0 PyQt6-sip: 13.3.1 PyQt6-WebEngine-commercial: 6.3.0 PyQt6-WebEngine-Qt6: 6.3.0 python-dateutil: 2.8.2 pytz: 2022.1 pyzmq: 23.1.0 qtconsole: 5.3.0 QtPy: 2.1.0 RandomWords: 0.3.0 requests: 2.27.1 scipy: 1.7.3 setuptools: 59.8.0 sfftk-rw: 0.7.2 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 Sphinx: 4.3.2 sphinx-autodoc-typehints: 1.15.2 sphinxcontrib-applehelp: 1.0.2 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 1.0.2 sphinxcontrib-htmlhelp: 2.0.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 1.0.3 sphinxcontrib-serializinghtml: 1.1.5 suds-community: 1.0.0 tables: 3.7.0 tifffile: 2021.11.2 tinyarray: 1.2.4 tornado: 6.1 traitlets: 5.1.1 urllib3: 1.26.9 wcwidth: 0.2.5 webcolors: 1.11.1 wheel: 0.37.1 wheel-filename: 1.3.0
Change History (2)
comment:1 by , 3 years ago
Component: | Unassigned → Volume Data |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → assigned |
Summary: | ChimeraX bug report submission → Volume Viewer: wrapped C/C++ object of type QScrollArea has been deleted |
comment:2 by , 3 years ago
Resolution: | → duplicate |
---|---|
Status: | assigned → closed |
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This was fixed 7 months ago. The fix is in the current ChimeraX 1.5.
Duplicate of #7103.