Opened 2 years ago
Closed 2 years ago
#9498 closed defect (limitation)
Restore new session in old ChimeraX
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Sessions | 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: 1.5 (2022-11-24 00:03:27 UTC) Description (Describe the actions that caused this problem to occur here) Log: UCSF ChimeraX version: 1.5 (2022-11-24) © 2016-2022 Regents of the University of California. All rights reserved. > open /Users/jng994/Desktop/paborra/lr4_fb123_02s.cxs Opened map_b1_lr4_fb1_3o21_17k_locref_sh as #1, grid size 239,241,483, pixel 0.728, shown at level 0.1, step 1, values float32 Opened map_b1_cast_04Bb1_3o23_17k_nu_sh as #3, grid size 239,241,483, pixel 0.728, shown at level 0.08, step 1, values float32 Opened map_b2_lr4_fb2_3o74_20k_locref_sh as #4, grid size 239,241,483, pixel 0.728, shown at level 0.1, step 1, values float32 Opened map_b2_cast_04Bb2_3o27_20k_nus_sh as #6, grid size 239,241,483, pixel 0.728, shown at level 0.07, step 1, values float32 Opened map_b3_lr4_fb3_4o00_19k_locref_sh as #7, grid size 239,241,483, pixel 0.728, shown at level 0.05, step 1, values float32 Opened map_b3_cast_04Bb3_3o53_19k_nu_sh as #9, grid size 239,241,483, pixel 0.728, shown at level 0.06, step 1, values float32 Log from Tue Aug 1 12:56:49 2023UCSF ChimeraX version: 1.7.dev202305042315 (2023-05-04) © 2016-2023 Regents of the University of California. All rights reserved. > open /Users/pmesa/Desktop/lr4_fb123/lr4_fb123_02s.cxs Opened map_b1_lr4_fb1_3o21_17k_locref_sh as #1, grid size 239,241,483, pixel 0.728, shown at level 0.1, step 1, values float32 Opened map_b1_cast_04Bb1_3o23_17k_nu_sh as #3, grid size 239,241,483, pixel 0.728, shown at level 0.08, step 1, values float32 Opened map_b2_lr4_fb2_3o74_20k_locref_sh as #4, grid size 239,241,483, pixel 0.728, shown at level 0.1, step 1, values float32 Opened map_b2_cast_04Bb2_3o27_20k_nus_sh as #6, grid size 239,241,483, pixel 0.728, shown at level 0.07, step 1, values float32 Opened map_b3_lr4_fb3_4o00_19k_locref_sh as #7, grid size 239,241,483, pixel 0.728, shown at level 0.05, step 1, values float32 Opened map_b3_cast_04Bb3_3o53_19k_nu_sh as #9, grid size 239,241,483, pixel 0.728, shown at level 0.06, step 1, values float32 Log from Mon Jul 31 20:30:42 2023UCSF ChimeraX version: 1.7.dev202305042315 (2023-05-04) © 2016-2023 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb1_3o21_17k_J1695/lr4_fb1_3o21_17k_J1695_005_sls_mb20.ccp4 Opened lr4_fb1_3o21_17k_J1695_005_sls_mb20.ccp4 as #1, grid size 239,241,483, pixel 0.728, shown at level 0.0992, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb1_3o21_17k_J1695/lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb Chain information for lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb2_3o74_20k_J1693/lr4_fb2_3o74_20k_J1693_006_sls_mb20.ccp4 Opened lr4_fb2_3o74_20k_J1693_006_sls_mb20.ccp4 as #3, grid size 239,241,483, pixel 0.728, shown at level 0.072, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb2_3o74_20k_J1693/lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb Chain information for lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #4 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb3_4o00_19k_J1694/lr4_fb3_4o00_19k_J1694_005_sls_mb20.ccp4 Opened lr4_fb3_4o00_19k_J1694_005_sls_mb20.ccp4 as #5, grid size 239,241,483, pixel 0.728, shown at level 0.0639, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb3_4o00_19k_J1694/lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb Chain information for lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #6 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > close session > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb1_3o21_17k_J1695/lr4_fb1_3o21_17k_J1695_005_sls_mb20.ccp4 Opened lr4_fb1_3o21_17k_J1695_005_sls_mb20.ccp4 as #1, grid size 239,241,483, pixel 0.728, shown at level 0.0992, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb1_3o21_17k_J1695/lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb Chain information for lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_nu/cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 Opened cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 as #3, grid size 239,241,483, pixel 0.728, shown at level 0.138, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb2_3o74_20k_J1693/lr4_fb2_3o74_20k_J1693_006_sls_mb20.ccp4 Opened lr4_fb2_3o74_20k_J1693_006_sls_mb20.ccp4 as #4, grid size 239,241,483, pixel 0.728, shown at level 0.072, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb2_3o74_20k_J1693/lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb Chain information for lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_nu/cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 Opened cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 as #6, grid size 239,241,483, pixel 0.728, shown at level 0.133, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb3_4o00_19k_J1694/lr4_fb3_4o00_19k_J1694_005_sls_mb20.ccp4 Opened lr4_fb3_4o00_19k_J1694_005_sls_mb20.ccp4 as #7, grid size 239,241,483, pixel 0.728, shown at level 0.0639, step 2, values float32 > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb3_4o00_19k_J1694/lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb Chain information for lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8 --- Chain | Description 2 | No description available 3 | No description available 4 | No description available 5 | No description available 6 | No description available 7 | No description available R | No description available S | No description available T | No description available U | No description available > open > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_nu/cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 Opened cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 as #9, grid size 239,241,483, pixel 0.728, shown at level 0.11, step 2, values float32 > hide atoms > show cartoons > hide #!2 models > hide #!3 models > hide #!4 models > hide #!5 models > hide #!6 models > hide #!7 models > hide #!8 models > hide #!9 models > volume step 1 level 0.1 > show #!3 models > hide #!1 models > volume #3 level 0.08 > show #!1 models > hide #!3 models > hide #!1 models > show #!3 models > show #!6 models > open > D:/Docs/phenix_projects/cast/L5_locref/L5_msLC_a258_2o35_258k/L5_msLC_a258_2o35_258k_r14.pdb Chain information for L5_msLC_a258_2o35_258k_r14.pdb #10 --- Chain | Description 2 | No description available 3 | No description available C | No description available D E F G H I J K L M N O P Q | No description available > hide #10 atoms > show #10 cartoons > hide #!6 models > hide #10 models > show #10 models > combine #10 name C_b1 > combine #10 name C_b2 > combine #10 name C_b3 > hide #10 models > hide #12 models > hide #13 models > show #11 cartoons > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > color #11 #5500ffff > color #11 blue > color #12 blue > color #13 blue > ui tool show "Fit in Map" > fitmap #11 inMap #3 Fit molecule C_b1 (#11) to map cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) using 30566 atoms average map value = 0.1318, steps = 68 shifted from previous position = 0.451 rotated from previous position = 0.77 degrees atoms outside contour = 8786, contour level = 0.08 Position of C_b1 (#11) relative to cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) coordinates: Matrix rotation and translation 0.99992867 0.00343305 -0.01143973 2.30076649 -0.00350360 0.99997493 -0.00615264 2.56653273 0.01141832 0.00619228 0.99991564 -5.83459619 Axis 0.45911096 -0.85009737 -0.25797595 Axis point 503.75729464 0.00000000 182.74156770 Rotation angle (degrees) 0.77032897 Shift along axis 0.37968987 > volume #3 style mesh > volume #3 style surface > fitmap #11 inMap #3 Fit molecule C_b1 (#11) to map cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) using 30566 atoms average map value = 0.1318, steps = 40 shifted from previous position = 0.0121 rotated from previous position = 0.00475 degrees atoms outside contour = 8792, contour level = 0.08 Position of C_b1 (#11) relative to cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) coordinates: Matrix rotation and translation 0.99992807 0.00344207 -0.01148980 2.32341805 -0.00351218 0.99997531 -0.00608718 2.55526260 0.01146857 0.00612709 0.99991546 -5.83144971 Axis 0.45374019 -0.85286614 -0.25833928 Axis point 501.23696864 0.00000000 184.01488525 Rotation angle (degrees) 0.77119800 Shift along axis 0.38142373 > fitmap #11 inMap #3 Fit molecule C_b1 (#11) to map cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) using 30566 atoms average map value = 0.1318, steps = 40 shifted from previous position = 0.00454 rotated from previous position = 0.00552 degrees atoms outside contour = 8794, contour level = 0.08 Position of C_b1 (#11) relative to cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) coordinates: Matrix rotation and translation 0.99992807 0.00343105 -0.01149296 2.32491120 -0.00350228 0.99997475 -0.00618304 2.57897148 0.01147146 0.00622284 0.99991484 -5.85975271 Axis 0.45936957 -0.85033484 -0.25672994 Axis point 503.68698321 0.00000000 183.97392030 Rotation angle (degrees) 0.77369760 Shift along axis 0.37937813 > show #!6 models > hide #!3 models > show #12 models > hide #11 models > fitmap #12 inMap #6 Fit molecule C_b2 (#12) to map cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) using 30566 atoms average map value = 0.1327, steps = 60 shifted from previous position = 0.827 rotated from previous position = 1.34 degrees atoms outside contour = 11792, contour level = 0.1 Position of C_b2 (#12) relative to cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) coordinates: Matrix rotation and translation 0.99977296 -0.00203703 -0.02121028 7.72839573 0.00183604 0.99995327 -0.00949132 2.00530768 0.02122862 0.00945022 0.99972998 -9.86383697 Axis 0.40616404 -0.91001835 0.08305044 Axis point 471.03428505 0.00000000 349.85065127 Rotation angle (degrees) 1.33612135 Shift along axis 0.49493361 > volume #6 style mesh > volume #6 style surface > show #!9 models > hide #!6 models > show #13 models > hide #12 models > fitmap #13 inMap #9 Fit molecule C_b3 (#13) to map cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) using 30566 atoms average map value = 0.08978, steps = 48 shifted from previous position = 1.05 rotated from previous position = 0.21 degrees atoms outside contour = 18459, contour level = 0.1 Position of C_b3 (#13) relative to cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) coordinates: Matrix rotation and translation 0.99999654 0.00239315 -0.00109287 -0.65765108 -0.00239594 0.99999387 -0.00255445 0.48262693 0.00108675 0.00255706 0.99999614 -1.21539230 Axis 0.69679116 -0.29712256 -0.65284015 Axis point 0.00000000 426.65509987 210.22243973 Rotation angle (degrees) 0.21015493 Shift along axis 0.19181208 > fitmap #13 inMap #9 Fit molecule C_b3 (#13) to map cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) using 30566 atoms average map value = 0.08978, steps = 40 shifted from previous position = 0.00866 rotated from previous position = 0.0104 degrees atoms outside contour = 18462, contour level = 0.1 Position of C_b3 (#13) relative to cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) coordinates: Matrix rotation and translation 0.99999635 0.00240337 -0.00123210 -0.61668846 -0.00240665 0.99999354 -0.00267127 0.52291640 0.00122567 0.00267422 0.99999567 -1.30424488 Axis 0.70340716 -0.32341564 -0.63294604 Axis point 0.00000000 435.37955227 221.65489655 Rotation angle (degrees) 0.21770788 Shift along axis 0.22261421 > volume #9 style mesh > volume #9 style surface > volume #9 level 0.08 > volume #9 level 0.06 > show #!6 models > hide #!9 models > volume #6 level 0.06 > volume #6 level 0.07 > show #!9 models > show #!3 models > hide #!6 models > hide #!9 models > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_01.cxs > includeMaps true > set bgColor white > set bgColor black > hide #13 models > show #11 models > show #!6 models > show #12 models > hide #!3 models > hide #!6 models > show #13 models > hide #13 models > hide #12 models > show #12 models > show #13 models > hide #13 models > hide #12 models > show #12 models > show #13 models > show #!3 models > show #!6 models > hide #13 models > mmaker #12 to #11 bring #6 pairing ss Using Nucleic matrix instead of BLOSUM-62 to match C_b2 #12/2 to C_b1 #11/2 Using Nucleic matrix instead of BLOSUM-62 to match C_b2 #12/3 to C_b1 #11/3 Parameters --- Chain pairing | ss Alignment algorithm | Needleman-Wunsch Similarity matrix | Nucleic 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 C_b1, chain 2 (#11) with C_b2, chain 2 (#12), sequence alignment score = 100 Matchmaker C_b1, chain 3 (#11) with C_b2, chain 3 (#12), sequence alignment score = 104 Matchmaker C_b1, chain C (#11) with C_b2, chain C (#12), sequence alignment score = 53.3 Matchmaker C_b1, chain D (#11) with C_b2, chain D (#12), sequence alignment score = 1329.4 Matchmaker C_b1, chain E (#11) with C_b2, chain E (#12), sequence alignment score = 1326.4 Matchmaker C_b1, chain F (#11) with C_b2, chain F (#12), sequence alignment score = 1325.8 Matchmaker C_b1, chain G (#11) with C_b2, chain G (#12), sequence alignment score = 1325.8 Matchmaker C_b1, chain H (#11) with C_b2, chain H (#12), sequence alignment score = 1325.2 Matchmaker C_b1, chain I (#11) with C_b2, chain I (#12), sequence alignment score = 1328.8 Matchmaker C_b1, chain J (#11) with C_b2, chain J (#12), sequence alignment score = 1327.6 Matchmaker C_b1, chain K (#11) with C_b2, chain K (#12), sequence alignment score = 1325.2 Matchmaker C_b1, chain L (#11) with C_b2, chain L (#12), sequence alignment score = 1324 Matchmaker C_b1, chain M (#11) with C_b2, chain M (#12), sequence alignment score = 1327 Matchmaker C_b1, chain N (#11) with C_b2, chain N (#12), sequence alignment score = 1326.4 Matchmaker C_b1, chain O (#11) with C_b2, chain O (#12), sequence alignment score = 1325.2 Matchmaker C_b1, chain P (#11) with C_b2, chain P (#12), sequence alignment score = 1326.4 Matchmaker C_b1, chain Q (#11) with C_b2, chain Q (#12), sequence alignment score = 1322.8 RMSD between 3659 pruned atom pairs is 0.000 angstroms; (across all 3659 pairs: 0.000) > hide #!6 models > hide #!3 models > hide #12 models > show #12 models > show #!3 models > show #!6 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!3 models > show #!3 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!6 models > show #!6 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!3 models > hide #!6 models > show #!3 models > show #!9 models > hide #12 models > show #13 models > mmaker #13 to #11 bring #9 pairing ss Using Nucleic matrix instead of BLOSUM-62 to match C_b3 #13/2 to C_b1 #11/2 Using Nucleic matrix instead of BLOSUM-62 to match C_b3 #13/3 to C_b1 #11/3 Parameters --- Chain pairing | ss Alignment algorithm | Needleman-Wunsch Similarity matrix | Nucleic 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 C_b1, chain 2 (#11) with C_b3, chain 2 (#13), sequence alignment score = 100 Matchmaker C_b1, chain 3 (#11) with C_b3, chain 3 (#13), sequence alignment score = 104 Matchmaker C_b1, chain C (#11) with C_b3, chain C (#13), sequence alignment score = 53.3 Matchmaker C_b1, chain D (#11) with C_b3, chain D (#13), sequence alignment score = 1329.4 Matchmaker C_b1, chain E (#11) with C_b3, chain E (#13), sequence alignment score = 1326.4 Matchmaker C_b1, chain F (#11) with C_b3, chain F (#13), sequence alignment score = 1325.8 Matchmaker C_b1, chain G (#11) with C_b3, chain G (#13), sequence alignment score = 1325.8 Matchmaker C_b1, chain H (#11) with C_b3, chain H (#13), sequence alignment score = 1325.2 Matchmaker C_b1, chain I (#11) with C_b3, chain I (#13), sequence alignment score = 1328.8 Matchmaker C_b1, chain J (#11) with C_b3, chain J (#13), sequence alignment score = 1327.6 Matchmaker C_b1, chain K (#11) with C_b3, chain K (#13), sequence alignment score = 1325.2 Matchmaker C_b1, chain L (#11) with C_b3, chain L (#13), sequence alignment score = 1324 Matchmaker C_b1, chain M (#11) with C_b3, chain M (#13), sequence alignment score = 1327 Matchmaker C_b1, chain N (#11) with C_b3, chain N (#13), sequence alignment score = 1326.4 Matchmaker C_b1, chain O (#11) with C_b3, chain O (#13), sequence alignment score = 1325.2 Matchmaker C_b1, chain P (#11) with C_b3, chain P (#13), sequence alignment score = 1326.4 Matchmaker C_b1, chain Q (#11) with C_b3, chain Q (#13), sequence alignment score = 1322.8 RMSD between 3659 pruned atom pairs is 0.000 angstroms; (across all 3659 pairs: 0.000) > hide #!9 models > hide #!3 models > hide #13 models > show #13 models > show #12 models > hide #12 models > hide #13 models > hide #11 models > show #!3 models > show #!6 models > show #!9 models > hide #!6 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!3 models > show #!3 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > hide #!9 models > show #!9 models > show #13 models > hide #!3 models > show #!6 models > show #!3 models > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_01.cxs > includeMaps true > hide #13 models > combine #2 cast_b1 Expected a keyword > combine #2 name cast_b1 > hide #!3 models > hide #!6 models > hide #!9 models > show #!6 models > hide #!6 models > show #!5 models > hide #!14 models > combine #5 name cast_b2 > hide #!5 models > show #!14 models > hide #!15 models > hide #!14 models > show #!8 models > combine #8 name cast_b3 > show #!15 models > show #!14 models > hide #!16 models > hide #!15 models > hide #!14 models > hide #!8 models > show #!1 models > show #!14 models > hide #!1 models > show #!3 models > ui tool show "Fit in Map" > fitmap #14 inMap #3 Fit molecule cast_b1 (#14) to map cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) using 16478 atoms average map value = 0.07375, steps = 96 shifted from previous position = 1.04 rotated from previous position = 1.17 degrees atoms outside contour = 10262, contour level = 0.08 Position of cast_b1 (#14) relative to cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) coordinates: Matrix rotation and translation 0.99989265 -0.01181117 -0.00867129 5.74552132 0.01193361 0.99982788 0.01420595 -6.58777238 0.00850201 -0.01430790 0.99986149 0.64897185 Axis -0.69737573 -0.42001474 0.58073635 Axis point 0.00000000 75.63807843 490.16369044 Rotation angle (degrees) 1.17141827 Shift along axis -0.86294405 > hide #!3 models > show #!3 models > volume #3 style mesh > volume #3 style surface > volume #3 style mesh > volume #3 style surface > fitmap #14 inMap #3 Fit molecule cast_b1 (#14) to map cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) using 16478 atoms average map value = 0.07375, steps = 96 shifted from previous position = 0.0115 rotated from previous position = 0.0135 degrees atoms outside contour = 10251, contour level = 0.08 Position of cast_b1 (#14) relative to cast_04Bb1_3o23_17k_J1635_005_nus_mb20.ccp4 (#3) coordinates: Matrix rotation and translation 0.99989392 -0.01186850 -0.00844366 5.70823268 0.01198789 0.99982685 0.01423251 -6.61263510 0.00827328 -0.01433222 0.99986306 0.73537635 Axis -0.70013949 -0.40974286 0.58473539 Axis point 0.00000000 81.59250741 490.28221746 Rotation angle (degrees) 1.16887543 Shift along axis -0.85707851 > show #!6 models > hide #!3 models > show #!15 models > hide #!14 models > fitmap #15 inMap #6 Fit molecule cast_b2 (#15) to map cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) using 16478 atoms average map value = 0.05601, steps = 280 shifted from previous position = 0.785 rotated from previous position = 0.764 degrees atoms outside contour = 11840, contour level = 0.07 Position of cast_b2 (#15) relative to cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) coordinates: Matrix rotation and translation 0.99995797 0.00631761 -0.00664451 1.80657751 -0.00630196 0.99997733 0.00237370 2.00470043 0.00665935 -0.00233173 0.99997511 -2.04051772 Axis -0.24855556 -0.70275080 -0.66660441 Axis point 357.16425178 -0.00000000 251.01614627 Rotation angle (degrees) 0.54234477 Shift along axis -0.49762159 > fitmap #15 inMap #6 Fit molecule cast_b2 (#15) to map cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) using 16478 atoms average map value = 0.05601, steps = 404 shifted from previous position = 0.0115 rotated from previous position = 0.00809 degrees atoms outside contour = 11841, contour level = 0.07 Position of cast_b2 (#15) relative to cast_04Bb2_3o27_20k_J1629_007_nus_mb20.ccp4 (#6) coordinates: Matrix rotation and translation 0.99995697 0.00645046 -0.00666733 1.76752561 -0.00643447 0.99997638 0.00241690 2.04479333 0.00668276 -0.00237389 0.99997485 -2.04284256 Axis -0.25000995 -0.69668092 -0.67240667 Axis point 356.19725860 0.00000000 244.32306123 Rotation angle (degrees) 0.54897091 Shift along axis -0.49284651 > show #!16 models > hide #!15 models > show #!9 models > hide #!6 models > fitmap #16 inMap #9 Fit molecule cast_b3 (#16) to map cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) using 16478 atoms average map value = 0.04434, steps = 64 shifted from previous position = 0.868 rotated from previous position = 0.661 degrees atoms outside contour = 12768, contour level = 0.06 Position of cast_b3 (#16) relative to cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) coordinates: Matrix rotation and translation 0.99998801 0.00470175 0.00137058 -2.19367853 -0.00471260 0.99995672 0.00802163 -1.04617625 -0.00133281 -0.00802799 0.99996689 2.52285784 Axis -0.85359643 0.14377909 -0.50070021 Axis point 0.00000000 342.29948763 140.49150161 Rotation angle (degrees) 0.53865581 Shift along axis 0.45890244 > fitmap #16 inMap #9 Fit molecule cast_b3 (#16) to map cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) using 16478 atoms average map value = 0.04434, steps = 48 shifted from previous position = 0.017 rotated from previous position = 0.0056 degrees atoms outside contour = 12761, contour level = 0.06 Position of cast_b3 (#16) relative to cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) coordinates: Matrix rotation and translation 0.99998836 0.00464790 0.00129755 -2.16308617 -0.00465821 0.99995668 0.00805803 -1.07352143 -0.00126004 -0.00806398 0.99996669 2.49367790 Axis -0.85800998 0.13611450 -0.49526935 Axis point 0.00000000 337.80566638 143.05960704 Rotation angle (degrees) 0.53830211 Shift along axis 0.47478546 > fitmap #16 inMap #9 Fit molecule cast_b3 (#16) to map cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) using 16478 atoms average map value = 0.04434, steps = 44 shifted from previous position = 0.00808 rotated from previous position = 0.00483 degrees atoms outside contour = 12760, contour level = 0.06 Position of cast_b3 (#16) relative to cast_04Bb3_3o53_19k_J1632_006_nus_mb20.ccp4 (#9) coordinates: Matrix rotation and translation 0.99998839 0.00465140 0.00125880 -2.15209095 -0.00466131 0.99995727 0.00798318 -1.05306286 -0.00122162 -0.00798895 0.99996734 2.46382593 Axis -0.85621085 0.13296664 -0.49922224 Axis point 0.00000000 337.35917213 141.58792703 Rotation angle (degrees) 0.53441801 Shift along axis 0.47262470 > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_01.cxs > includeMaps true > hide #!16 models > hide #!9 models > show #!14 models > show #!1 models > show #!3 models > hide #!3 models > show #!3 models > show #!2 models > hide #!1 models > hide #!3 models > show #!1 models > show #!3 models > mmaker #2 to #14 bring #1 pairing ss Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/2 to cast_b1 #14/2 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/3 to cast_b1 #14/3 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/4 to cast_b1 #14/4 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/5 to cast_b1 #14/5 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/6 to cast_b1 #14/6 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb #2/7 to cast_b1 #14/7 Parameters --- Chain pairing | ss Alignment algorithm | Needleman-Wunsch Similarity matrix | Nucleic 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 cast_b1, chain 2 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 2 (#2), sequence alignment score = 60 Matchmaker cast_b1, chain 3 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 3 (#2), sequence alignment score = 184 Matchmaker cast_b1, chain 4 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 4 (#2), sequence alignment score = 104 Matchmaker cast_b1, chain 5 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 5 (#2), sequence alignment score = 104 Matchmaker cast_b1, chain 6 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 6 (#2), sequence alignment score = 192 Matchmaker cast_b1, chain 7 (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain 7 (#2), sequence alignment score = 60 Matchmaker cast_b1, chain R (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain R (#2), sequence alignment score = 2593.5 Matchmaker cast_b1, chain S (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain S (#2), sequence alignment score = 2578.9 Matchmaker cast_b1, chain T (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain T (#2), sequence alignment score = 1548.3 Matchmaker cast_b1, chain U (#14) with lr4_fb1_3o21_17k_J1695_005_sls_mb20_r02.pdb, chain U (#2), sequence alignment score = 1556.5 RMSD between 1776 pruned atom pairs is 0.000 angstroms; (across all 1776 pairs: 0.000) > hide #!1 models > hide #!3 models > hide #!14 models > hide #!2 models > show #!15 models > show #!4 models > show #!5 models > show #!6 models > hide #!4 models > hide #!6 models > show #!4 models > show #!6 models > mmaker #5 to #15 bring #4 pairing ss Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/2 to cast_b2 #15/2 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/3 to cast_b2 #15/3 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/4 to cast_b2 #15/4 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/5 to cast_b2 #15/5 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/6 to cast_b2 #15/6 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb #5/7 to cast_b2 #15/7 Parameters --- Chain pairing | ss Alignment algorithm | Needleman-Wunsch Similarity matrix | Nucleic 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 cast_b2, chain 2 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 2 (#5), sequence alignment score = 60 Matchmaker cast_b2, chain 3 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 3 (#5), sequence alignment score = 184 Matchmaker cast_b2, chain 4 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 4 (#5), sequence alignment score = 104 Matchmaker cast_b2, chain 5 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 5 (#5), sequence alignment score = 104 Matchmaker cast_b2, chain 6 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 6 (#5), sequence alignment score = 192 Matchmaker cast_b2, chain 7 (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain 7 (#5), sequence alignment score = 60 Matchmaker cast_b2, chain R (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain R (#5), sequence alignment score = 2588.7 Matchmaker cast_b2, chain S (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain S (#5), sequence alignment score = 2572.9 Matchmaker cast_b2, chain T (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain T (#5), sequence alignment score = 1548.9 Matchmaker cast_b2, chain U (#15) with lr4_fb2_3o74_20k_J1693_006_sls_mb20_r02.pdb, chain U (#5), sequence alignment score = 1551.7 RMSD between 1776 pruned atom pairs is 0.000 angstroms; (across all 1776 pairs: 0.000) > hide #!4 models > hide #!6 models > hide #!15 models > show #!4 models > show #!6 models > hide #!5 models > show #!2 models > hide #!2 models > show #!1 models > hide #!1 models > hide #!4 models > show #!4 models > show #!5 models > hide #!6 models > hide #!4 models > show #!15 models > show #!14 models > hide #!14 models > hide #!15 models > show #!16 models > hide #!5 models > show #!8 models > show #!7 models > show #!9 models > hide #!9 models > volume #7 level 0.08 > volume #7 level 0.06 > hide #!16 models > volume #7 level 0.04 > volume #7 level 0.05 > show #!16 models > hide #!7 models > show #!7 models > show #!9 models > hide #!7 models > show #!7 models > mmaker #8 to #16 bring #7 pairing ss Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/2 to cast_b3 #16/2 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/3 to cast_b3 #16/3 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/4 to cast_b3 #16/4 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/5 to cast_b3 #16/5 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/6 to cast_b3 #16/6 Using Nucleic matrix instead of BLOSUM-62 to match lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb #8/7 to cast_b3 #16/7 Parameters --- Chain pairing | ss Alignment algorithm | Needleman-Wunsch Similarity matrix | Nucleic 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 cast_b3, chain 2 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 2 (#8), sequence alignment score = 60 Matchmaker cast_b3, chain 3 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 3 (#8), sequence alignment score = 184 Matchmaker cast_b3, chain 4 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 4 (#8), sequence alignment score = 104 Matchmaker cast_b3, chain 5 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 5 (#8), sequence alignment score = 104 Matchmaker cast_b3, chain 6 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 6 (#8), sequence alignment score = 192 Matchmaker cast_b3, chain 7 (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain 7 (#8), sequence alignment score = 60 Matchmaker cast_b3, chain R (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain R (#8), sequence alignment score = 2591.7 Matchmaker cast_b3, chain S (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain S (#8), sequence alignment score = 2573.5 Matchmaker cast_b3, chain T (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain T (#8), sequence alignment score = 1544.7 Matchmaker cast_b3, chain U (#16) with lr4_fb3_4o00_19k_J1694_005_sls_mb20_r01.pdb, chain U (#8), sequence alignment score = 1555.9 RMSD between 1776 pruned atom pairs is 0.000 angstroms; (across all 1776 pairs: 0.000) > hide #!7 models > hide #!9 models > hide #!16 models > show #!7 models > hide #!8 models > show #!9 models > hide #!7 models > show #!7 models > hide #!7 models > show #!7 models > hide #!7 models > show #!8 models > hide #!9 models > show #!16 models > hide #!16 models > show #!9 models > show #!7 models > hide #!8 models > hide #!9 models > hide #!7 models > show #!1 models > show #!2 models > hide #!1 models > show #!5 models > show #!8 models > hide #!8 models > hide #!5 models > hide #!2 models > show #!1 models > show #!3 models > show #!4 models > show #!6 models > show #!7 models > show #!9 models > volume showOutlineBox true > volume showOutlineBox false > hide #!4 models > hide #!6 models > hide #!7 models > hide #!9 models > hide #!3 models > show #!4 models > show #!7 models > color #4 yellow models > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_01.cxs > includeMaps true > show #10 models > show #!2 models > hide #!1 models > show #!5 models > hide #!4 models > show #!8 models > hide #!7 models > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_01.cxs > includeMaps true > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_02s.cxs > includeMaps true > hide #!4 models > close #11-13#14-16 > rename #10 L5_TnsC > rename #1 lr4_fb1_3o21_17k_locref_sharp > rename #2 lr4_fb1_r02 > rename #3 cast_04Bb1_3o23_17k_nu_sharp > rename #4 lr4_fb2_3o74_20k_locref_sharp > rename #1 lr4_fb1_3o21_17k_locref_sh > rename #3 cast_04Bb1_3o23_17k_nu_sh > rename #4 lr4_fb2_3o74_20k_locref_sh > rename #1 map_b1_lr4_fb1_3o21_17k_locref_sh > rename #2 mod_b1_lr4_fb1_r02 > rename #3 map_b1_cast_04Bb1_3o23_17k_nu_sh > rename #4 map_b2_lr4_fb2_3o74_20k_locref_sh > rename #5 mod_b2_lr4_fb2_r02 > rename #6 map_b2_cast_04Bb2_3o27_20k_nus_sh > rename #7 map_b3_lr4_fb3_4o00_19k_locref_sh > rename #8 mod_b3_lr4_fb3_r01 > rename #9 map_b3_cast_04Bb3_3o53_19k_nu_sh > show #!1 models > show #!3 models > hide #!5 models > hide #!8 models > hide #10 models > show #!4 models > hide #!3 models > hide #!2 models > hide #!1 models > hide #!4 models > show #!1 models > show #!2 models > hide #!2 models > show #!3 models > color #1 #c6c6c6ff models > color #3 #c6c6c6ff models > color #3 #919191ff models > color #3 #7e7e7eff models > hide #!1 models > show #!1 models > volume #1 level 0.12 > hide #!3 models > volume #1 level 0.1 > show #!2 models > show #!3 models > hide #!2 models > hide #!1 models > hide #!3 models > show #!4 models > color #4 #0096ffff models > show #!5 models > hide #!4 models > color #6 #0096ffff models > color #6 blue models > show #!4 models > show #!6 models > hide #!4 models > hide #!6 models > show #!2 models > show #!8 models > show #!1 models > hide #!2 models > show #!4 models > hide #!5 models > show #!7 models > hide #!8 models > show #!6 models > hide #!4 models > show #!3 models > hide #!6 models > hide #!7 models > show #!4 models > hide #!3 models > hide #!1 models > show #!6 models > hide #!6 models > show #!6 models > color #6 #aa00ffff models > color #6 #0055ffff models > color #6 #aa55ffff models > color #6 #0055ffff models > color #6 #aa00ffff models > color #6 #0055ffff models > hide #!6 models > hide #!4 models > show #!7 models > show #!9 models > color #7 #ffaa00ff models > color #9 #ffaa00ff models > color #9 #cc8800ff models > color #9 #ff5500ff models > color #9 red models > hide #!7 models > show #!6 models > show #!3 models > show #!7 models > hide #!6 models > hide #!3 models > show #!5 models > hide #!5 models > hide #!9 models > show #!4 models > show #!1 models > show #!2 models > hide #!1 models > hide #!4 models > show #!5 models > hide #!7 models > show #!8 models > show #10 models > save > D:/Docs/phenix_projects/cast/locref4L/lr4_cast_locref/lr4_fb123/lr4_fb123_02s.cxs > includeMaps true ——— End of log from Mon Jul 31 20:30:42 2023 ——— opened ChimeraX session > combine #2 name b1_fitR > combine #5 name b2_fitR > hide #!8 models > show #!8 models > combine #8 name b3_fitR > hide #!2 models > hide #!5 models > hide #!8 models > hide #10 models > hide #!12 models > hide #!13 models > show #!13 models > show #!12 models > select #11-13/R 12138 atoms, 12342 bonds, 3 pseudobonds, 1515 residues, 6 models selected > hide #!12 models > hide #!13 models > select #11-13/R:182-999999 8502 atoms, 8652 bonds, 3 pseudobonds, 1062 residues, 6 models selected > show #!12 models > show #!13 models > ui tool show Matchmaker > matchmaker #!12-13 & sel to #11 & sel 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 b1_fitR, chain R (#11) with b2_fitR, chain R (#12), sequence alignment score = 1764.8 RMSD between 342 pruned atom pairs is 0.771 angstroms; (across all 353 pairs: 0.949) Matchmaker b1_fitR, chain R (#11) with b3_fitR, chain R (#13), sequence alignment score = 1730.6 RMSD between 331 pruned atom pairs is 0.814 angstroms; (across all 353 pairs: 1.048) > hide #!12 models > show #!12 models > hide #!13 models > show #!13 models > hide #!12 models > hide #!11 models > show #!11 models > show #!12 models > hide #!11 models > select #11-13/R:411-999999 2988 atoms, 3006 bonds, 3 pseudobonds, 375 residues, 6 models selected > ui tool show Matchmaker > show #!11 models > matchmaker #!12-13 & sel to #11 & sel 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 b1_fitR, chain R (#11) with b2_fitR, chain R (#12), sequence alignment score = 584.7 RMSD between 117 pruned atom pairs is 0.952 angstroms; (across all 124 pairs: 1.248) Matchmaker b1_fitR, chain R (#11) with b3_fitR, chain R (#13), sequence alignment score = 582.9 RMSD between 107 pruned atom pairs is 0.869 angstroms; (across all 124 pairs: 1.357) > hide #!12 models > hide #!13 models > show #!13 models > show #!12 models > hide #!11 models > show #!11 models > select #11-13/R:411-501 2196 atoms, 2220 bonds, 273 residues, 3 models selected > ui tool show Matchmaker > matchmaker #!12-13 & sel to #11 & sel 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 b1_fitR, chain R (#11) with b2_fitR, chain R (#12), sequence alignment score = 429.5 RMSD between 85 pruned atom pairs is 0.851 angstroms; (across all 91 pairs: 1.073) Matchmaker b1_fitR, chain R (#11) with b3_fitR, chain R (#13), sequence alignment score = 439.1 RMSD between 87 pruned atom pairs is 0.845 angstroms; (across all 91 pairs: 0.985) > rename #11 b1_fitR411-501 > rename #12 b2_fitR411-501 > rename #13 b3_fitR411-501 > hide #!12 models > hide #!13 models > show #!12 models > show #!13 models > hide #!11 models > hide #!12 models > hide #!13 models > select clear > show #!2 models > show #!5 models > show #!8 models > show #10 models > show #!11 models > show #!12 models > hide #!8 models > hide #!5 models > hide #10 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 > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > show #!8 models > hide #!8 models > show #!8 models > hide #!5 models > hide #!2 models > hide #!11 models > hide #!12 models > show #!2 models > hide #!2 models > show #!2 models > hide #!2 models > show #!2 models > hide #!2 models > show #!5 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > show #!2 models > hide #!2 models > show #!2 models > hide #!5 models > show #!5 models > hide #!5 models > show #!5 models > show #10 models > hide #!2 models > hide #!5 models > hide #!8 models > show #!11 models > show #!12 models > show #!13 models > hide #10 models > show #!2 models > show #!5 models > show #!8 models > hide #!11 models > hide #!12 models > hide #!13 models > show #10 models > show #!1 models > show #!3 models > hide #!2 models > hide #!3 models > hide #!1 models > show #!2 models > save /Users/pmesa/Desktop/lr4_fb123/lr4_fb123_02s.cxs includeMaps true ——— End of log from Tue Aug 1 12:56:49 2023 ——— opened ChimeraX session > open /Users/jng994/Desktop/paborra/L5_allmaps_locrefcomp_02s.cxs Unable to restore session, resetting. Traceback (most recent call last): File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 700, in restore self.reset() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 541, in reset sm.reset_state(container, self) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 149, in reset_state self.clear() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 45, in delete_all_rotations for rotater in self.bond_rotaters.values(): AttributeError: 'list' object has no attribute 'values' Failed opening file /Users/jng994/Desktop/paborra/L5_allmaps_locrefcomp_02s.cxs: 'list' object has no attribute 'values' > open /Users/jng994/Desktop/paborra/L5_allmaps_locrefcomp_02s.cxs Unable to restore session, resetting. Traceback (most recent call last): File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 700, in restore self.reset() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 541, in reset sm.reset_state(container, self) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 149, in reset_state self.clear() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 45, in delete_all_rotations for rotater in self.bond_rotaters.values(): AttributeError: 'list' object has no attribute 'values' Traceback (most recent call last): File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 700, in restore self.reset() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 541, in reset sm.reset_state(container, self) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 149, in reset_state self.clear() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 45, in delete_all_rotations for rotater in self.bond_rotaters.values(): AttributeError: 'list' object has no attribute 'values' During handling of the above exception, another exception occurred: Traceback (most recent call last): File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/open_command/dialog.py", line 162, in _qt_safe run(session, "open " + " ".join([FileNameArg.unparse(p) for p in paths]) + ("" File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/commands/run.py", line 38, in run results = command.run(text, log=log, return_json=return_json) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/commands/cli.py", line 2897, in run result = ci.function(session, **kw_args) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/open_command/cmd.py", line 118, in cmd_open models = Command(session, registry=registry).run(provider_cmd_text, log=log)[0] File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/commands/cli.py", line 2897, in run result = ci.function(session, **kw_args) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/open_command/cmd.py", line 193, in provider_open models, status = collated_open(session, None, [data], data_format, _add_models, File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/open_command/cmd.py", line 458, in collated_open return remember_data_format() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/open_command/cmd.py", line 428, in remember_data_format models, status = func(*func_args, **func_kw) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core_formats/__init__.py", line 26, in open return cxs_open(session, data, **kw) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 1004, in open session.restore(stream, path=path, resize_window=resize_window) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 742, in restore self.reset() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/core/session.py", line 541, in reset sm.reset_state(container, self) File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 149, in reset_state self.clear() File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 45, in delete_all_rotations for rotater in self.bond_rotaters.values(): AttributeError: 'list' object has no attribute 'values' AttributeError: 'list' object has no attribute 'values' File "/Applications/ChimeraX-1.5.app/Contents/Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site- packages/chimerax/bond_rot/manager.py", line 45, in delete_all_rotations for rotater in self.bond_rotaters.values(): See log for complete Python traceback. OpenGL version: 4.1 ATI-4.12.7 OpenGL renderer: AMD Radeon Pro 5300M OpenGL Engine OpenGL vendor: ATI Technologies Inc. Python: 3.9.11 Locale: UTF-8 Qt version: PyQt6 6.3.1, Qt 6.3.1 Qt runtime version: 6.3.2 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Pro Model Identifier: MacBookPro16,1 Processor Name: 6-Core Intel Core i7 Processor Speed: 2.6 GHz Number of Processors: 1 Total Number of Cores: 6 L2 Cache (per Core): 256 KB L3 Cache: 12 MB Hyper-Threading Technology: Enabled Memory: 16 GB System Firmware Version: 1968.120.12.0.0 (iBridge: 20.16.5060.0.0,0) OS Loader Version: 577~170 Software: System Software Overview: System Version: macOS 13.4.1 (c) (22F770820d) Kernel Version: Darwin 22.5.0 Time since boot: 19 days, 4 hours, 29 minutes Graphics/Displays: Intel UHD Graphics 630: Chipset Model: Intel UHD Graphics 630 Type: GPU Bus: Built-In VRAM (Dynamic, Max): 1536 MB Vendor: Intel Device ID: 0x3e9b Revision ID: 0x0000 Automatic Graphics Switching: Supported gMux Version: 5.0.0 Metal Support: Metal 3 AMD Radeon Pro 5300M: Chipset Model: AMD Radeon Pro 5300M Type: GPU Bus: PCIe PCIe Lane Width: x16 VRAM (Total): 4 GB Vendor: AMD (0x1002) Device ID: 0x7340 Revision ID: 0x0043 ROM Revision: 113-D3220E-190 VBIOS Version: 113-D32207P1-019 Option ROM Version: 113-D32207P1-019 EFI Driver Version: 01.A1.190 Automatic Graphics Switching: Supported gMux Version: 5.0.0 Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 3072 x 1920 Retina Framebuffer Depth: 24-Bit Color (ARGB8888) 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 asttokens: 2.1.0 Babel: 2.11.0 backcall: 0.2.0 blockdiag: 3.0.0 build: 0.8.0 certifi: 2021.10.8 cftime: 1.6.2 charset-normalizer: 2.1.1 ChimeraX-AddCharge: 1.4 ChimeraX-AddH: 2.2.1 ChimeraX-AlignmentAlgorithms: 2.0 ChimeraX-AlignmentHdrs: 3.2.1 ChimeraX-AlignmentMatrices: 2.0 ChimeraX-Alignments: 2.6 ChimeraX-AlphaFold: 1.0 ChimeraX-AltlocExplorer: 1.0.3 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.0 ChimeraX-Atomic: 1.41.5 ChimeraX-AtomicLibrary: 8.0.3 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.3 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: 2.7.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.2 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.3.1 ChimeraX-ChangeChains: 1.0.2 ChimeraX-CheckWaters: 1.3 ChimeraX-ChemGroup: 2.0 ChimeraX-Clashes: 2.2.4 ChimeraX-ColorActions: 1.0.3 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.2 ChimeraX-CommandLine: 1.2.4 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.5 ChimeraX-CoreFormats: 1.1 ChimeraX-coulombic: 1.3.2 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.2 ChimeraX-Dicom: 1.1 ChimeraX-DistMonitor: 1.3 ChimeraX-DockPrep: 1.0 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ExperimentalCommands: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.2 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 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: 1.1.2 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.1 ChimeraX-MatchMaker: 2.0.9 ChimeraX-MDcrds: 2.6 ChimeraX-MedicalToolbar: 1.0.2 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1 ChimeraX-mmCIF: 2.8 ChimeraX-MMTF: 2.2 ChimeraX-Modeller: 1.5.6 ChimeraX-ModelPanel: 1.3.6 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.1 ChimeraX-MouseModes: 1.1.1 ChimeraX-Movie: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.9.1 ChimeraX-PDB: 2.6.8 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-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 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: 2.7.2 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 ChimeraX-STL: 1.0 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.1.3 ChimeraX-TapeMeasure: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.1.2 ChimeraX-ToolshedUtils: 1.2.1 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.24.3 ChimeraX-uniprot: 2.2.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.1.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.1 ChimeraX-WebServices: 1.1.0 ChimeraX-Zone: 1.0.1 colorama: 0.4.5 cxservices: 1.2 cycler: 0.11.0 Cython: 0.29.32 debugpy: 1.6.4 decorator: 5.1.1 docutils: 0.19 entrypoints: 0.4 executing: 1.2.0 filelock: 3.7.1 fonttools: 4.38.0 funcparserlib: 1.0.1 grako: 3.16.5 h5py: 3.7.0 html2text: 2020.1.16 idna: 3.4 ihm: 0.33 imagecodecs: 2022.7.31 imagesize: 1.4.1 importlib-metadata: 5.1.0 ipykernel: 6.15.3 ipython: 8.4.0 ipython-genutils: 0.2.0 jedi: 0.18.1 Jinja2: 3.1.2 jupyter-client: 7.3.4 jupyter-core: 5.1.0 kiwisolver: 1.4.4 line-profiler: 3.5.1 lxml: 4.9.1 lz4: 4.0.2 MarkupSafe: 2.1.1 matplotlib: 3.5.2 matplotlib-inline: 0.1.6 msgpack: 1.0.4 nest-asyncio: 1.5.6 netCDF4: 1.6.0 networkx: 2.8.5 numexpr: 2.8.4 numpy: 1.23.1 openvr: 1.23.701 packaging: 21.3 ParmEd: 3.4.3 parso: 0.8.3 pep517: 0.13.0 pexpect: 4.8.0 pickleshare: 0.7.5 Pillow: 9.2.0 pip: 22.2.2 pkginfo: 1.8.3 platformdirs: 2.5.4 prompt-toolkit: 3.0.33 psutil: 5.9.1 ptyprocess: 0.7.0 pure-eval: 0.2.2 pycollada: 0.7.2 pydicom: 2.3.0 Pygments: 2.12.0 PyOpenGL: 3.1.5 PyOpenGL-accelerate: 3.1.5 pyparsing: 3.0.9 PyQt6-commercial: 6.3.1 PyQt6-Qt6: 6.3.2 PyQt6-sip: 13.4.0 PyQt6-WebEngine-commercial: 6.3.1 PyQt6-WebEngine-Qt6: 6.3.2 python-dateutil: 2.8.2 pytz: 2022.6 pyzmq: 24.0.1 qtconsole: 5.3.1 QtPy: 2.3.0 RandomWords: 0.4.0 requests: 2.28.1 scipy: 1.9.0 setuptools: 65.1.1 setuptools-scm: 7.0.5 sfftk-rw: 0.7.2 six: 1.16.0 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 Sphinx: 5.1.1 sphinx-autodoc-typehints: 1.19.1 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 stack-data: 0.6.2 tables: 3.7.0 tifffile: 2022.7.31 tinyarray: 1.2.4 tomli: 2.0.1 tornado: 6.2 traitlets: 5.3.0 typing-extensions: 4.4.0 urllib3: 1.26.13 wcwidth: 0.2.5 webcolors: 1.12 wheel: 0.37.1 wheel-filename: 1.4.1 zipp: 3.11.0
Change History (2)
comment:1 by , 2 years ago
Component: | Unassigned → Sessions |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → Restore new session in old ChimeraX |
comment:2 by , 2 years ago
Resolution: | → limitation |
---|---|
Status: | accepted → closed |
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