Opened 6 months ago
Closed 6 months ago
#17389 closed defect (fixed)
MatchMaker: bad pairing arg produces traceback
Reported by: | Owned by: | pett | |
---|---|---|---|
Priority: | normal | Milestone: | |
Component: | Structure Comparison | Version: | |
Keywords: | Cc: | ||
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
The following bug report has been submitted: Platform: macOS-15.2-arm64-arm-64bit ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC) Description Replace this text with list of actions that caused this problem to occur Log: UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. > open "/Users/mahamayabiswal/EMC-G09 chimera session 15th april 7_20 pm.cxs" > format session Opened cryosparc_P1_J610_006_volume_map_sharp.mrc as #1, grid size 512,512,512, pixel 0.92, shown at level 0.0733, step 2, values float32 Log from Tue Apr 15 19:20:57 2025UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. > open "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/cryo EM str for Nnaobody-EMC > complex/April 2025/15TH APRIL 2025 vol translucent.cxs" Opened cryosparc_P1_J610_006_volume_map_sharp.mrc as #1, grid size 512,512,512, pixel 0.92, shown at level 0.0733, step 2, values float32 Log from Tue Apr 15 16:28:58 2025UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. > open "C:\Users\mahamaya\OneDrive - Stanford\Pleiner\Pleiner > lab\Structure\cryo EM str for Nnaobody-EMC complex\April 2025\15TH APRIL > 2025.cxs" format session Opened cryosparc_P1_J610_006_volume_map_sharp.mrc as #1, grid size 512,512,512, pixel 0.92, shown at level 0.0882, step 2, values float32 Log from Tue Apr 15 15:47:29 2025 Startup Messages --- note | available bundle cache has not been initialized yet UCSF ChimeraX version: 1.9 (2024-12-11) © 2016-2024 Regents of the University of California. All rights reserved. How to cite UCSF ChimeraX > open "C:\Users\mahamaya\OneDrive - Stanford\Pleiner\Pleiner > lab\Structure\cryo EM str for Nnaobody-EMC complex\April > 2025\cryosparc_P1_J610_006_volume_map_sharp.mrc" format mrc Opened cryosparc_P1_J610_006_volume_map_sharp.mrc as #1, grid size 512,512,512, pixel 0.92, shown at level 0.0314, step 2, values float32 > volume #1 level 0.06428 > volume #1 level 0.06877 > volume #1 level 0.08822 > open "C:/Users/mahamaya/OneDrive - Stanford/Pleiner/Pleiner > lab/Structure/PDB/8s9s.cif" Summary of feedback from opening C:/Users/mahamaya/OneDrive - Stanford/Pleiner/Pleiner lab/Structure/PDB/8s9s.cif --- warning | Atom C19 has no neighbors to form bonds with according to residue template for PCW /1:1002 notes | Fetching CCD NAG from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif Fetching CCD PCW from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/W/PCW/PCW.cif 8s9s.cif title: Structure of the human ER membrane protein complex (EMC) in GDN [more info...] Chain information for 8s9s.cif #2 --- Chain | Description | UniProt 1 | ER membrane protein complex subunit 1 | EMC1_HUMAN 1-993 10 | ER membrane protein complex subunit 10 | EMC10_HUMAN 1-262 2 | ER membrane protein complex subunit 2 | EMC2_HUMAN 1-297 3 | ER membrane protein complex subunit 3 | EMC3_HUMAN 1-261 4 | ER membrane protein complex subunit 4 | EMC4_HUMAN 1-183 5 | Membrane magnesium transporter 1 | MMGT1_HUMAN 1-131 6 | ER membrane protein complex subunit 6 | EMC6_HUMAN 1-110 7 | ER membrane protein complex subunit 7 | EMC7_HUMAN 1-242 8 | ER membrane protein complex subunit 8 | EMC8_HUMAN 1-210 Non-standard residues in 8s9s.cif #2 --- 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) PCW — 1,2-dioleoyl-Sn-glycero-3-phosphocholine ((Z,Z)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9-octadecenyl)oxy]-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium-4-oxide) > preset cartoons/nucleotides ribbons/slabs Using preset: Cartoons/Nucleotides / Ribbons/Slabs Changed 17706 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick ~worm cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > ui mousemode right "translate selected models" > select add #2 18012 atoms, 18413 bonds, 8 pseudobonds, 2275 residues, 2 models selected > ui mousemode right "move picked models" > view matrix models #2,1,0,0,38.359,0,1,0,93.234,0,0,1,52.733 > view matrix models #2,1,0,0,71.822,0,1,0,84.767,0,0,1,60.327 > view matrix models #1,1,0,0,-2.0774,0,1,0,7.7212,0,0,1,-1.3246 > view matrix models #2,1,0,0,69.711,0,1,0,85.176,0,0,1,62.13 > view matrix models #1,1,0,0,-1.9297,0,1,0,13.715,0,0,1,0.39662 > ui mousemode right "rotate selected models" > view matrix models > #2,0.95129,-0.30737,0.023797,123.44,0.30816,0.95029,-0.044535,50.508,-0.0089247,0.049699,0.99872,55.748 > ui tool show "Fit in Map" > select add #1 18012 atoms, 18413 bonds, 8 pseudobonds, 2275 residues, 4 models selected > select subtract #2 2 models selected > select subtract #1 Nothing selected > save "C:/Users/mahamaya/OneDrive - Stanford/Pleiner/Pleiner > lab/Structure/cryo EM str for Nnaobody-EMC complex/April 2025/15TH APRIL > 2025.cxs" ——— End of log from Tue Apr 15 15:47:29 2025 ——— opened ChimeraX session > color #1 lightgray > volume #1 smoothing true iterations 2 factor 0.3 Expected keyword "smoothingFactor" or "smoothingIterations" > volume #1 transparency 50 > volume #1 transparency 0 > volume #1 style surface > volume #1 style mesh > volume #1 level 0.1047 > volume #1 style surface > volume #1 level 0.08522 > set bgColor white > volume #1 transparency 0 [Repeated 1 time(s)] > volume #1 transparency 30 > volume #1 transparency 50 > set bgColor black > volume #1 transparency 0 > transparency 60 #1 Expected a collection of one of 'All', 'atoms', 'bonds', 'cartoons', 'labels', 'models', 'pseudobonds', 'ribbons', 'rings', or 'surfaces' or a keyword > volume #1 transparency 0.6 > set bgColor white > set bgColor BLACK Invalid "bgColor" argument: Invalid color name or specifier > set bgColor black > volume #1 transparency 0.7 > volume #1 transparency 0.5 > volume #1 transparency 0.8 > volume #1 transparency 0.2 > volume #1 transparency 0.7 > volume #1 transparency 0.6 > volume #1 level 0.07326 > save "C:/Users/mahamaya/OneDrive - Stanford/Pleiner/Pleiner > lab/Structure/cryo EM str for Nnaobody-EMC complex/April 2025/15TH APRIL > 2025 vol translucent.cxs" ——— End of log from Tue Apr 15 16:28:58 2025 ——— opened ChimeraX session > open "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/Nanobody AF > structures/fold_2025_04_15_16_31_nanobody_g09_only/fold_2025_04_15_16_31_nanobody_g09_only_model_1.cif" Chain information for fold_2025_04_15_16_31_nanobody_g09_only_model_1.cif #3 --- Chain | Description A | . Computing secondary structure > select add #2 18012 atoms, 18413 bonds, 8 pseudobonds, 2275 residues, 2 models selected > select subtract #2 Nothing selected > select add #3 887 atoms, 905 bonds, 115 residues, 1 model selected > ui mousemode right "move picked models" > view matrix models #3,1,0,0,299.34,0,1,0,268.88,0,0,1,296.12 > ui mousemode right "move picked models" > view matrix models #3,1,0,0,268.62,0,1,0,264.64,0,0,1,312.84 > view matrix models #3,1,0,0,279.28,0,1,0,280.12,0,0,1,300.84 > view matrix models #3,1,0,0,274.55,0,1,0,276.52,0,0,1,304.45 > view matrix models #1,1,0,0,-7.1357,0,1,0,7.9893,0,0,1,-1.8941 > undo [Repeated 1 time(s)] > view matrix models #3,1,0,0,278.89,0,1,0,281.29,0,0,1,306.36 > ui mousemode right "rotate selected models" > view matrix models > #3,0.017279,0.35505,0.93469,277.98,-0.89292,0.4261,-0.14535,283.7,-0.44988,-0.83209,0.32439,309.53 > view matrix models > #3,0.15767,0.38701,0.9085,277.78,-0.92737,0.37414,0.0015727,283.57,-0.33929,-0.84276,0.41789,309.24 > ui mousemode right "move picked models" > view matrix models #1,1,0,0,-5.708,0,1,0,13.602,0,0,1,-2.6753 > undo > view matrix models > #3,0.15767,0.38701,0.9085,263.7,-0.92737,0.37414,0.0015727,281.52,-0.33929,-0.84276,0.41789,301.66 > ui mousemode right "move picked models" > view matrix models #1,1,0,0,-2.2664,0,1,0,14.37,0,0,1,1.315 > undo > view matrix models > #3,0.15767,0.38701,0.9085,261.6,-0.92737,0.37414,0.0015727,284.75,-0.33929,-0.84276,0.41789,306.56 > ui mousemode right "move picked models" > view matrix models > #3,0.15767,0.38701,0.9085,260.29,-0.92737,0.37414,0.0015727,285.79,-0.33929,-0.84276,0.41789,308.23 > ui mousemode right "rotate selected models" > view matrix models > #3,0.24538,0.081647,0.96598,260.58,-0.87912,0.4387,0.18624,285.29,-0.40858,-0.89491,0.17943,308.83 > view matrix models > #3,0.31202,0.27935,0.90808,260.26,-0.94667,0.17227,0.27229,285.67,-0.080369,-0.94461,0.3182,308.23 > view matrix models > #3,0.35599,0.11986,0.92677,260.43,-0.9141,0.25069,0.3187,285.42,-0.19413,-0.96062,0.19881,308.62 > ui mousemode right "translate selected models" > view matrix models > #3,0.35599,0.11986,0.92677,263.27,-0.9141,0.25069,0.3187,281.84,-0.19413,-0.96062,0.19881,303.95 > undo > ui mousemode right "move picked models" > view matrix models #1,1,0,0,-0.16322,0,1,0,13.626,0,0,1,-0.82384 > undo > view matrix models > #3,0.35599,0.11986,0.92677,260.29,-0.9141,0.25069,0.3187,285.28,-0.19413,-0.96062,0.19881,308.59 > ui tool show "Fit in Map" > fitmap #2 inMap #1 Fit molecule 8s9s.cif (#2) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 18012 atoms average map value = 0.1164, steps = 116 shifted from previous position = 6.26 rotated from previous position = 4.75 degrees atoms outside contour = 5499, contour level = 0.073257 Position of 8s9s.cif (#2) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.97152642 -0.23233361 0.04644897 103.45442952 0.23381914 0.97183102 -0.02954775 37.82469195 -0.03827561 0.03956708 0.99848356 64.60585994 Axis 0.14434882 0.17695036 0.97357690 Axis point -49.74898996 398.86532523 0.00000000 Rotation angle (degrees) 13.85125567 Shift along axis 84.52539111 > view matrix models #1,1,0,0,-0.90935,0,1,0,9.0579,0,0,1,3.3734 > fitmap #3 #1 Missing required "in_map" argument > fitmap #3 inMap MapID #1 Invalid "inMap" argument: invalid density map specifier > fitmap #3 inMap #1 Fit molecule fold_2025_04_15_16_31_nanobody_g09_only_model_1.cif (#3) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 887 atoms average map value = 0.1095, steps = 104 shifted from previous position = 6.34 rotated from previous position = 21.9 degrees atoms outside contour = 285, contour level = 0.073257 Position of fold_2025_04_15_16_31_nanobody_g09_only_model_1.cif (#3) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.50815510 0.33125550 0.79501458 255.76251337 -0.85099994 0.05101927 0.52268167 273.68060561 0.13258011 -0.94216072 0.30782412 302.77774913 Axis -0.73404610 0.33195205 -0.59243916 Axis point 0.00000000 283.31814798 -184.67368067 Rotation angle (degrees) 93.81302634 Shift along axis -276.27003242 > select subtract #3 Nothing selected > select add #2 18012 atoms, 18413 bonds, 8 pseudobonds, 2275 residues, 2 models selected > fitmap #2 inMap #1 Fit molecule 8s9s.cif (#2) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 18012 atoms average map value = 0.1164, steps = 76 shifted from previous position = 5.6 rotated from previous position = 0.0546 degrees atoms outside contour = 5503, contour level = 0.073257 Position of 8s9s.cif (#2) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.97173432 -0.23144481 0.04653711 103.23950927 0.23294517 0.97203164 -0.02985018 38.00535353 -0.03832687 0.03984703 0.99847046 64.57015250 Axis 0.14605521 0.17783819 0.97316055 Axis point -50.62487842 398.81339173 0.00000000 Rotation angle (degrees) 13.80385834 Shift along axis 84.67459621 > save "/Users/mahamayabiswal/EMC-G09 chimera session 15th april 7_20 pm.cxs" ——— End of log from Tue Apr 15 19:20:57 2025 ——— opened ChimeraX session > select add #3 18899 atoms, 19318 bonds, 8 pseudobonds, 2390 residues, 3 models selected > select subtract #2 887 atoms, 905 bonds, 115 residues, 1 model selected > close #3 > open "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/Nanobody AF > structures/fold_2025_04_15_16_31_nanobody_g09_only/fold_2025_04_15_16_31_nanobody_g09_only_model_0.cif" Chain information for fold_2025_04_15_16_31_nanobody_g09_only_model_0.cif #3 --- Chain | Description A | . Computing secondary structure > ui mousemode right "move picked models" > select add #3 887 atoms, 905 bonds, 115 residues, 1 model selected > view matrix models #3,1,0,0,309.18,0,1,0,258.25,0,0,1,263.9 > view matrix models #3,1,0,0,307.81,0,1,0,245.01,0,0,1,299.49 > ui mousemode right "rotate selected models" > view matrix models > #3,0.11652,0.97182,-0.20489,312.16,-0.434,0.23538,0.86962,244.51,0.89335,-0.012403,0.44919,297.16 > view matrix models > #3,0.40361,-0.17111,0.89879,308.51,0.6752,-0.60721,-0.41881,241.39,0.61742,0.77589,-0.12955,299.71 > ui mousemode right "move picked models" > view matrix models > #3,0.40361,-0.17111,0.89879,265.33,0.6752,-0.60721,-0.41881,253.54,0.61742,0.77589,-0.12955,332.65 > view matrix models > #3,0.40361,-0.17111,0.89879,272.11,0.6752,-0.60721,-0.41881,277.77,0.61742,0.77589,-0.12955,305.06 > view matrix models > #3,0.40361,-0.17111,0.89879,259.22,0.6752,-0.60721,-0.41881,285.56,0.61742,0.77589,-0.12955,308.36 > view matrix models #1,1,0,0,0.41773,0,1,0,10.417,0,0,1,7.0869 > fitmap #3 inMap #1 Fit molecule fold_2025_04_15_16_31_nanobody_g09_only_model_0.cif (#3) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 887 atoms average map value = 0.1129, steps = 68 shifted from previous position = 2.64 rotated from previous position = 14.6 degrees atoms outside contour = 211, contour level = 0.073257 Position of fold_2025_04_15_16_31_nanobody_g09_only_model_0.cif (#3) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.43088031 -0.40558774 0.80612700 256.97778977 0.58445498 -0.55520976 -0.59173854 274.07807244 0.68757147 0.72611343 -0.00218117 299.40839719 Axis 0.79745808 0.07174027 0.59909427 Axis point 0.00000000 106.45891590 134.40318714 Rotation angle (degrees) 124.28122439 Shift along axis 403.96530639 > fitmap #2 inMap #1 Fit molecule 8s9s.cif (#2) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 18012 atoms average map value = 0.1164, steps = 84 shifted from previous position = 4.16 rotated from previous position = 0.0124 degrees atoms outside contour = 5502, contour level = 0.073257 Position of 8s9s.cif (#2) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.97173478 -0.23147017 0.04640120 103.27812756 0.23295871 0.97203352 -0.02968287 37.95914857 -0.03823283 0.03965344 0.99848178 64.57537558 Axis 0.14531584 0.17737697 0.97335539 Axis point -50.60160025 399.25352359 0.00000000 Rotation angle (degrees) 13.80221936 Shift along axis 84.59581623 > save "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/cryo EM str for Nnaobody-EMC > complex/G09-EMC.cxs" > open "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/Nanobody AF > structures/fold_2025_04_15_17_33_e2_nanobody_only/fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif" Chain information for fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif #4 --- Chain | Description A | . Computing secondary structure > select subtract #3 Nothing selected > select add #4 873 atoms, 890 bonds, 114 residues, 1 model selected > ui mousemode right "move picked models" > ui mousemode right "rotate selected models" > ui mousemode right "translate selected models" > view matrix models #4,1,0,0,218.91,0,1,0,302.97,0,0,1,129.6 > ui mousemode right "move picked models" > view matrix models #4,1,0,0,221.28,0,1,0,292.55,0,0,1,137.12 > view matrix models #1,1,0,0,0.32155,0,1,0,10.475,0,0,1,6.8896 > ui mousemode right "rotate selected models" > view matrix models > #4,0.62183,0.1443,-0.76975,220.82,-0.55283,0.77706,-0.30093,292.07,0.55471,0.61266,0.56297,137.43 > ui mousemode right "move picked models" > view matrix models #1,1,0,0,1.0264,0,1,0,9.8833,0,0,1,8.1352 > view matrix models > #4,0.62183,0.1443,-0.76975,226.13,-0.55283,0.77706,-0.30093,285.82,0.55471,0.61266,0.56297,145.5 > ui mousemode right "rotate selected models" > view matrix models > #4,0.87679,0.37919,0.29573,226.2,0.32843,-0.022996,-0.94425,287.37,-0.35125,0.92503,-0.1447,144.32 > ui mousemode right "move picked models" > view matrix models > #4,0.87679,0.37919,0.29573,238.95,0.32843,-0.022996,-0.94425,298.02,-0.35125,0.92503,-0.1447,143.12 > view matrix models > #4,0.87679,0.37919,0.29573,239.85,0.32843,-0.022996,-0.94425,294.12,-0.35125,0.92503,-0.1447,144.39 > view matrix models > #4,0.87679,0.37919,0.29573,240.66,0.32843,-0.022996,-0.94425,289.63,-0.35125,0.92503,-0.1447,143.43 > fitmap #4 inMap #1 Fit molecule fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 873 atoms average map value = 0.1039, steps = 228 shifted from previous position = 11.3 rotated from previous position = 70.7 degrees atoms outside contour = 231, contour level = 0.073257 Position of fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.48309535 0.09077566 0.87084939 240.45018563 0.31955353 0.90772360 -0.27188861 272.18473633 -0.81517141 0.40963112 0.40950936 142.84816333 Axis 0.37182857 0.91987168 0.12481831 Axis point 146.77452353 0.00000000 -36.29977554 Rotation angle (degrees) 66.41155918 Shift along axis 357.61134524 > fitmap #4 inMap #1 Fit molecule fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 873 atoms average map value = 0.1039, steps = 60 shifted from previous position = 0.0154 rotated from previous position = 0.0282 degrees atoms outside contour = 232, contour level = 0.073257 Position of fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.48273098 0.09059936 0.87106978 240.46021712 0.31985544 0.90768402 -0.27166563 272.19257743 -0.81526885 0.40975782 0.40918850 142.83985026 Axis 0.37171189 0.91988633 0.12505764 Axis point 146.67959291 0.00000000 -36.33644278 Rotation angle (degrees) 66.43421452 Shift along axis 357.63136689 > select subtract #4 Nothing selected > fitmap #4 inMap #1 Fit molecule fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 873 atoms average map value = 0.1039, steps = 48 shifted from previous position = 0.00308 rotated from previous position = 0.0116 degrees atoms outside contour = 232, contour level = 0.073257 Position of fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.48281981 0.09061806 0.87101860 240.46181669 0.31968537 0.90774973 -0.27164626 272.19493163 -0.81528295 0.40960810 0.40931028 142.83895225 Axis 0.37164409 0.91992660 0.12496289 Axis point 146.73125438 0.00000000 -36.35945904 Rotation angle (degrees) 66.42557790 Shift along axis 357.61513881 > select add #4 873 atoms, 890 bonds, 114 residues, 1 model selected > fitmap #4 inMap #1 Fit molecule fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 873 atoms average map value = 0.1039, steps = 48 shifted from previous position = 0.0225 rotated from previous position = 0.0404 degrees atoms outside contour = 231, contour level = 0.073257 Position of fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation 0.48334973 0.09087013 0.87069837 240.44838631 0.31963537 0.90761300 -0.27216150 272.17944249 -0.81498851 0.40985518 0.40964919 142.84706951 Axis 0.37212485 0.91975165 0.12481987 Axis point 146.74329194 0.00000000 -36.22957797 Rotation angle (degrees) 66.40269302 Shift along axis 357.64446254 > ui mousemode right "move picked models" > view matrix models #1,1,0,0,1.6231,0,1,0,10.395,0,0,1,7.7925 > view matrix models #1,1,0,0,1.2692,0,1,0,10.083,0,0,1,9.8417 > ui mousemode right "rotate selected models" > view matrix models > #4,-0.66223,0.65243,-0.36849,239.91,-0.2448,-0.65318,-0.71654,282.38,-0.70818,-0.38431,0.59227,151.57 > ui mousemode right "move picked models" > view matrix models #1,1,0,0,-0.71224,0,1,0,8.3766,0,0,1,12.513 > view matrix models #1,1,0,0,-5.1644,0,1,0,4.5362,0,0,1,19.839 > undo [Repeated 1 time(s)] > view matrix models > #4,-0.66223,0.65243,-0.36849,236.13,-0.2448,-0.65318,-0.71654,283.6,-0.70818,-0.38431,0.59227,140.41 > view matrix models #1,1,0,0,2.0755,0,1,0,11.274,0,0,1,10.726 > undo > view matrix models > #4,-0.66223,0.65243,-0.36849,242.02,-0.2448,-0.65318,-0.71654,293.15,-0.70818,-0.38431,0.59227,144.35 > view matrix models #1,1,0,0,0.96419,0,1,0,9.4801,0,0,1,9.6331 > fitmap #4 inMap #1 Fit molecule fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) to map cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) using 873 atoms average map value = 0.09564, steps = 124 shifted from previous position = 7.8 rotated from previous position = 42.8 degrees atoms outside contour = 273, contour level = 0.073257 Position of fold_2025_04_15_17_33_e2_nanobody_only_model_0.cif (#4) relative to cryosparc_P1_J610_006_volume_map_sharp.mrc (#1) coordinates: Matrix rotation and translation -0.84915964 0.52790681 -0.01556651 239.30599778 -0.04697099 -0.10484675 -0.99337852 276.97485039 -0.52604338 -0.84280577 0.11382794 139.03422542 Axis 0.19219984 0.65160243 -0.73380754 Axis point 165.08988894 170.27700231 0.00000000 Rotation angle (degrees) 156.93912959 Shift along axis 124.44769661 > save "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/cryo EM str for Nnaobody-EMC > complex/G09-EMC-E02 WITH CLASH_7_47 PM.cxs" > open "/Users/mahamayabiswal/Library/CloudStorage/OneDrive- > Stanford/Pleiner/Pleiner lab/Structure/PDB/8eoi (1).cif" Summary of feedback from opening /Users/mahamayabiswal/Library/CloudStorage/OneDrive-Stanford/Pleiner/Pleiner lab/Structure/PDB/8eoi (1).cif --- notes | Fetching CCD 9Z9 from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/9/9Z9/9Z9.cif Fetching CCD NAG from https://files.wwpdb.org/pub/pdb/refdata/chem_comp/G/NAG/NAG.cif 8eoi (1).cif title: Structure of a human EMC:human Cav1.2 channel complex in GDN detergent [more info...] Chain information for 8eoi (1).cif #5 --- Chain | Description | UniProt A | ER membrane protein complex subunit 1 | EMC1_HUMAN 21-993 B | ER membrane protein complex subunit 2 | EMC2_HUMAN 3-293 C | ER membrane protein complex subunit 3 | EMC3_HUMAN 4-261 D | ER membrane protein complex subunit 4 | EMC4_HUMAN 14-183 E | ER membrane protein complex subunit 5 | EMC5_HUMAN 3-103 F | ER membrane protein complex subunit 6 | EMC6_HUMAN 11-110 G | ER membrane protein complex subunit 7 | EMC7_HUMAN 43-158 H | ER membrane protein complex subunit 8 | EMC8_HUMAN 3-210 I | ER membrane protein complex subunit 10 | EMC10_HUMAN 50-206 J | Voltage-dependent L-type calcium channel subunit beta-3 | CACB3_RABIT 38-361 K | Voltage-dependent L-type calcium channel subunit alpha-1C | CAC1C_HUMAN 109-1658 Non-standard residues in 8eoi (1).cif #5 --- 9Z9 — (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en 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) > preset cartoons/nucleotides ribbons/slabs Using preset: Cartoons/Nucleotides / Ribbons/Slabs Changed 28584 atom styles Preset expands to these ChimeraX commands: show nucleic hide protein|solvent|H surf hide style (protein|nucleic|solvent) & @@draw_mode=0 stick ~worm cartoon cartoon style modeh def arrows t arrowshelix f arrowscale 2 wid 2 thick 0.4 sides 12 div 20 cartoon style ~(nucleic|strand) x round cartoon style (nucleic|strand) x rect nucleotides tube/slab shape box > fitmap #moving1 inMap #reference5 Missing or invalid "atomsOrMap" argument: invalid objects specifier > matchmaker #1 #5 Missing required "to" argument > matchmaker #2 #5 Missing required "to" argument > matchmaker #5 #reference2 Expected a keyword > matchmaker #5 #2 Missing required "to" argument > open some_model1.pdb # will get #1 '#' has no suffix > open some_model2.pdb # will get #2 '#' has no suffix > matchmaker #2 to #1 No 'to' model specified > select subtract #4 Nothing selected > matchmaker #5 to #2 pairing structure Traceback (most recent call last): File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/cmd_line/tool.py", line 319, in execute cmd.run(cmd_text) File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/core/commands/cli.py", line 3213, in run result = ci.function(session, **kw_args) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/match_maker/match.py", line 767, in cmd_match ret_vals = match(session, pairing, match_items, matrix, alg, gap_open, gap_extend, ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/match_maker/match.py", line 415, in match raise ValueError("No such chain-pairing method") ValueError: No such chain-pairing method ValueError: No such chain-pairing method File "/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site- packages/chimerax/match_maker/match.py", line 415, in match raise ValueError("No such chain-pairing method") See log for complete Python traceback. OpenGL version: 4.1 Metal - 89.3 OpenGL renderer: Apple M1 OpenGL vendor: Apple Python: 3.11.4 Locale: UTF-8 Qt version: PyQt6 6.7.1, Qt 6.7.1 Qt runtime version: 6.7.3 Qt platform: cocoa Hardware: Hardware Overview: Model Name: MacBook Air Model Identifier: MacBookAir10,1 Model Number: MGND3LL/A Chip: Apple M1 Total Number of Cores: 8 (4 performance and 4 efficiency) Memory: 8 GB System Firmware Version: 11881.61.3 OS Loader Version: 11881.61.3 Software: System Software Overview: System Version: macOS 15.2 (24C101) Kernel Version: Darwin 24.2.0 Time since boot: 12 days, 8 hours, 58 minutes Graphics/Displays: Apple M1: Chipset Model: Apple M1 Type: GPU Bus: Built-In Total Number of Cores: 7 Vendor: Apple (0x106b) Metal Support: Metal 3 Displays: Color LCD: Display Type: Built-In Retina LCD Resolution: 2560 x 1600 Retina Main Display: Yes Mirror: Off Online: Yes Automatically Adjust Brightness: Yes Connection Type: Internal Installed Packages: alabaster: 1.0.0 anyio: 4.7.0 appdirs: 1.4.4 appnope: 0.1.4 asttokens: 3.0.0 auditwheel: 6.1.0 babel: 2.16.0 beautifulsoup4: 4.12.3 blockdiag: 3.0.0 blosc2: 3.0.0 build: 1.2.1 certifi: 2023.11.17 cftime: 1.6.4.post1 charset-normalizer: 3.4.0 ChimeraX-AddCharge: 1.5.18 ChimeraX-AddH: 2.2.6 ChimeraX-AlignmentAlgorithms: 2.0.2 ChimeraX-AlignmentHdrs: 3.5 ChimeraX-AlignmentMatrices: 2.1 ChimeraX-Alignments: 2.16.1 ChimeraX-AlphaFold: 1.0.1 ChimeraX-AltlocExplorer: 1.1.2 ChimeraX-AmberInfo: 1.0 ChimeraX-Arrays: 1.1 ChimeraX-Atomic: 1.58.8 ChimeraX-AtomicLibrary: 14.1.11 ChimeraX-AtomSearch: 2.0.1 ChimeraX-AxesPlanes: 2.4 ChimeraX-BasicActions: 1.1.2 ChimeraX-BILD: 1.0 ChimeraX-BlastProtein: 3.0.0 ChimeraX-BondRot: 2.0.4 ChimeraX-BugReporter: 1.0.1 ChimeraX-BuildStructure: 2.13.1 ChimeraX-Bumps: 1.0 ChimeraX-BundleBuilder: 1.4.0 ChimeraX-ButtonPanel: 1.0.1 ChimeraX-CageBuilder: 1.0.1 ChimeraX-CellPack: 1.0 ChimeraX-Centroids: 1.4 ChimeraX-ChangeChains: 1.1 ChimeraX-CheckWaters: 1.4 ChimeraX-ChemGroup: 2.0.1 ChimeraX-Clashes: 2.3 ChimeraX-ColorActions: 1.0.5 ChimeraX-ColorGlobe: 1.0 ChimeraX-ColorKey: 1.5.6 ChimeraX-CommandLine: 1.2.5 ChimeraX-ConnectStructure: 2.0.1 ChimeraX-Contacts: 1.0.1 ChimeraX-Core: 1.9 ChimeraX-CoreFormats: 1.2 ChimeraX-coulombic: 1.4.4 ChimeraX-Crosslinks: 1.0 ChimeraX-Crystal: 1.0 ChimeraX-CrystalContacts: 1.0.1 ChimeraX-DataFormats: 1.2.3 ChimeraX-Dicom: 1.2.6 ChimeraX-DistMonitor: 1.4.2 ChimeraX-DockPrep: 1.1.3 ChimeraX-Dssp: 2.0 ChimeraX-EMDB-SFF: 1.0 ChimeraX-ESMFold: 1.0 ChimeraX-FileHistory: 1.0.1 ChimeraX-FunctionKey: 1.0.1 ChimeraX-Geometry: 1.3 ChimeraX-gltf: 1.0 ChimeraX-Graphics: 1.4.1 ChimeraX-Hbonds: 2.5 ChimeraX-Help: 1.3 ChimeraX-HKCage: 1.3 ChimeraX-IHM: 1.1 ChimeraX-ImageFormats: 1.2 ChimeraX-IMOD: 1.0 ChimeraX-IO: 1.0.3 ChimeraX-ItemsInspection: 1.0.1 ChimeraX-IUPAC: 1.0 ChimeraX-KVFinder: 1.2.1 ChimeraX-Label: 1.1.14 ChimeraX-ListInfo: 1.2.2 ChimeraX-Log: 1.2 ChimeraX-LookingGlass: 1.1 ChimeraX-Maestro: 1.9.1 ChimeraX-Map: 1.3 ChimeraX-MapData: 2.0 ChimeraX-MapEraser: 1.0.1 ChimeraX-MapFilter: 2.0.1 ChimeraX-MapFit: 2.0 ChimeraX-MapSeries: 2.1.1 ChimeraX-Markers: 1.0.1 ChimeraX-Mask: 1.0.2 ChimeraX-MatchMaker: 2.1.6 ChimeraX-MCopy: 1.0 ChimeraX-MDcrds: 2.7.2 ChimeraX-MedicalToolbar: 1.1 ChimeraX-Meeting: 1.0.1 ChimeraX-MLP: 1.1.1 ChimeraX-mmCIF: 2.14.2 ChimeraX-MMTF: 2.2 ChimeraX-ModelArchive: 1.0 ChimeraX-Modeller: 1.5.18 ChimeraX-ModelPanel: 1.5 ChimeraX-ModelSeries: 1.0.1 ChimeraX-Mol2: 2.0.3 ChimeraX-Mole: 1.0 ChimeraX-Morph: 1.0.2 ChimeraX-MouseModes: 1.2 ChimeraX-Movie: 1.0 ChimeraX-MutationScores: 1.0 ChimeraX-Neuron: 1.0 ChimeraX-Nifti: 1.2 ChimeraX-NMRSTAR: 1.0.2 ChimeraX-NRRD: 1.2 ChimeraX-Nucleotides: 2.0.3 ChimeraX-OpenCommand: 1.14 ChimeraX-OrthoPick: 1.0.1 ChimeraX-PDB: 2.7.6 ChimeraX-PDBBio: 1.0.1 ChimeraX-PDBLibrary: 1.0.4 ChimeraX-PDBMatrices: 1.0 ChimeraX-PickBlobs: 1.0.1 ChimeraX-Positions: 1.0 ChimeraX-PresetMgr: 1.1.2 ChimeraX-PubChem: 2.2 ChimeraX-ReadPbonds: 1.0.1 ChimeraX-Registration: 1.1.2 ChimeraX-RemoteControl: 1.0 ChimeraX-RenderByAttr: 1.6.2 ChimeraX-RenumberResidues: 1.1 ChimeraX-ResidueFit: 1.0.1 ChimeraX-RestServer: 1.3.1 ChimeraX-RNALayout: 1.0 ChimeraX-RotamerLibMgr: 4.0 ChimeraX-RotamerLibsDunbrack: 2.0 ChimeraX-RotamerLibsDynameomics: 2.0 ChimeraX-RotamerLibsRichardson: 2.0 ChimeraX-SaveCommand: 1.5.1 ChimeraX-SchemeMgr: 1.0 ChimeraX-SDF: 2.0.2 ChimeraX-Segger: 1.0 ChimeraX-Segment: 1.0.1 ChimeraX-Segmentations: 3.5.6 ChimeraX-SelInspector: 1.0 ChimeraX-SeqView: 2.14 ChimeraX-Shape: 1.0.1 ChimeraX-Shell: 1.0.1 ChimeraX-Shortcuts: 1.2.0 ChimeraX-ShowSequences: 1.0.3 ChimeraX-SideView: 1.0.1 ChimeraX-SimilarStructures: 1.0.1 ChimeraX-Smiles: 2.1.2 ChimeraX-SmoothLines: 1.0 ChimeraX-SpaceNavigator: 1.0 ChimeraX-StdCommands: 1.18.1 ChimeraX-STL: 1.0.1 ChimeraX-Storm: 1.0 ChimeraX-StructMeasure: 1.2.1 ChimeraX-Struts: 1.0.1 ChimeraX-Surface: 1.0.1 ChimeraX-SwapAA: 2.0.1 ChimeraX-SwapRes: 2.5 ChimeraX-TapeMeasure: 1.0 ChimeraX-TaskManager: 1.0 ChimeraX-Test: 1.0 ChimeraX-Toolbar: 1.2.3 ChimeraX-ToolshedUtils: 1.2.4 ChimeraX-Topography: 1.0 ChimeraX-ToQuest: 1.0 ChimeraX-Tug: 1.0.1 ChimeraX-UI: 1.41 ChimeraX-Umap: 1.0 ChimeraX-uniprot: 2.3.1 ChimeraX-UnitCell: 1.0.1 ChimeraX-ViewDockX: 1.4.4 ChimeraX-VIPERdb: 1.0 ChimeraX-Vive: 1.1 ChimeraX-VolumeMenu: 1.0.1 ChimeraX-vrml: 1.0 ChimeraX-VTK: 1.0 ChimeraX-WavefrontOBJ: 1.0 ChimeraX-WebCam: 1.0.2 ChimeraX-WebServices: 1.1.4 ChimeraX-Zone: 1.0.1 colorama: 0.4.6 comm: 0.2.2 contourpy: 1.3.1 cxservices: 1.2.3 cycler: 0.12.1 Cython: 3.0.10 debugpy: 1.8.9 decorator: 5.1.1 docutils: 0.21.2 executing: 2.1.0 filelock: 3.15.4 fonttools: 4.55.3 funcparserlib: 2.0.0a0 glfw: 2.8.0 grako: 3.16.5 h11: 0.14.0 h5py: 3.12.1 html2text: 2024.2.26 httpcore: 1.0.7 httpx: 0.28.1 idna: 3.10 ihm: 1.3 imagecodecs: 2024.6.1 imagesize: 1.4.1 ipykernel: 6.29.5 ipython: 8.26.0 ipywidgets: 8.1.5 jedi: 0.19.1 Jinja2: 3.1.4 jupyter_client: 8.6.2 jupyter_core: 5.7.2 jupyterlab_widgets: 3.0.13 kiwisolver: 1.4.7 line_profiler: 4.1.3 lxml: 5.2.2 lz4: 4.3.3 MarkupSafe: 3.0.2 matplotlib: 3.9.2 matplotlib-inline: 0.1.7 msgpack: 1.0.8 ndindex: 1.9.2 nest-asyncio: 1.6.0 netCDF4: 1.6.5 networkx: 3.3 nibabel: 5.2.0 nptyping: 2.5.0 numexpr: 2.10.2 numpy: 1.26.4 openvr: 1.26.701 packaging: 23.2 ParmEd: 4.2.2 parso: 0.8.4 pep517: 0.13.1 pexpect: 4.9.0 pillow: 10.4.0 pip: 24.2 pkginfo: 1.11.1 platformdirs: 4.3.6 prompt_toolkit: 3.0.48 psutil: 6.0.0 ptyprocess: 0.7.0 pure_eval: 0.2.3 py-cpuinfo: 9.0.0 pycollada: 0.8 pydicom: 2.4.4 pyelftools: 0.31 Pygments: 2.18.0 pynmrstar: 3.3.4 pynrrd: 1.0.0 PyOpenGL: 3.1.7 PyOpenGL-accelerate: 3.1.7 pyopenxr: 1.0.3401 pyparsing: 3.2.0 pyproject_hooks: 1.2.0 PyQt6-commercial: 6.7.1 PyQt6-Qt6: 6.7.3 PyQt6-WebEngine-commercial: 6.7.0 PyQt6-WebEngine-Qt6: 6.7.3 PyQt6-WebEngineSubwheel-Qt6: 6.7.3 PyQt6_sip: 13.8.0 python-dateutil: 2.9.0.post0 pytz: 2024.2 pyzmq: 26.2.0 qtconsole: 5.5.2 QtPy: 2.4.2 qtshim: 1.0 RandomWords: 0.4.0 requests: 2.32.3 scipy: 1.14.0 setuptools: 72.1.0 sfftk-rw: 0.8.1 six: 1.16.0 sniffio: 1.3.1 snowballstemmer: 2.2.0 sortedcontainers: 2.4.0 soupsieve: 2.6 Sphinx: 8.0.2 sphinx-autodoc-typehints: 2.2.3 sphinxcontrib-applehelp: 2.0.0 sphinxcontrib-blockdiag: 3.0.0 sphinxcontrib-devhelp: 2.0.0 sphinxcontrib-htmlhelp: 2.1.0 sphinxcontrib-jsmath: 1.0.1 sphinxcontrib-qthelp: 2.0.0 sphinxcontrib-serializinghtml: 2.0.0 stack-data: 0.6.3 superqt: 0.6.3 tables: 3.10.1 tcia_utils: 1.5.1 tifffile: 2024.7.24 tinyarray: 1.2.4 tornado: 6.4.2 traitlets: 5.14.3 typing_extensions: 4.12.2 tzdata: 2024.2 urllib3: 2.2.3 wcwidth: 0.2.13 webcolors: 24.6.0 wheel: 0.43.0 wheel-filename: 1.4.1 widgetsnbextension: 4.0.13
Change History (2)
comment:1 by , 6 months ago
Component: | Unassigned → Structure Comparison |
---|---|
Owner: | set to |
Platform: | → all |
Project: | → ChimeraX |
Status: | new → accepted |
Summary: | ChimeraX bug report submission → MatchMaker: bad pairing arg produces traceback |
comment:2 by , 6 months ago
Resolution: | → fixed |
---|---|
Status: | accepted → closed |
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Changed 'pairing' and 'alg' keywords to EnumOf annotations for better error handling.
Fix: https://github.com/RBVI/ChimeraX/commit/03b79f5b88f0aec757fabe504a9bc12607da58f2