﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
16766	Crash on Mac waking from sleep	helen.duyvesteyn@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-13.6.7-arm64-arm-64bit
ChimeraX Version: 1.9 (2024-12-11 19:11:19 UTC)
Description
Last time you used ChimeraX it crashed.
This is a known crash that we are unable to fix. Here is information that may help you avoid this crash. The Qt window toolkit crashed due to a display configuration change, typically when waking from sleep or when an external display is disconnected or connected. This has only been seen on Mac computers. We hope a newer version of Qt will fix it. We update ChimeraX daily builds whenever a new Qt is released. You can check here https://www.cgl.ucsf.edu/chimerax/docs/troubleshoot.html#macdisplay to see if it has been fixed in a newer ChimeraX.
Fatal Python error: Segmentation fault

Current thread 0x00000001fdee2100 (most recent call first):
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/ui/gui.py"", line 330 in event_loop
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1054 in init
  File ""/Applications/ChimeraX-1.9.app/Contents/Library/Frameworks/Python.framework/Versions/3.11/lib/python3.11/site-packages/chimerax/core/__main__.py"", line 1217 in 
  File """", line 88 in _run_code
  File """", line 198 in _run_module_as_main

Extension modules: chimerax.arrays._arrays, numpy.core._multiarray_umath, numpy.core._multiarray_tests, numpy.linalg._umath_linalg, numpy.fft._pocketfft_internal, numpy.random._common, numpy.random.bit_generator, numpy.random._bounded_integers, numpy.random._mt19937, numpy.random.mtrand, numpy.random._philox, numpy.random._pcg64, numpy.random._sfc64, numpy.random._generator, chimerax.geometry._geometry, PyQt6.QtCore, PyQt6.QtGui, PyQt6.QtWidgets, PyQt6.QtNetwork, PyQt6.QtPrintSupport, PyQt6.QtWebChannel, PyQt6.QtWebEngineCore, PyQt6.QtWebEngineWidgets, chimerax.atomic_lib._load_libs, tinyarray, chimerax.atomic.cymol, chimerax.atomic.cytmpl, chimerax.pdb_lib._load_libs, chimerax.map._map, charset_normalizer.md, requests.packages.charset_normalizer.md, requests.packages.chardet.md, PIL._imaging, kiwisolver._cext, OpenGL_accelerate.errorchecker, OpenGL_accelerate.wrapper, OpenGL_accelerate.formathandler, OpenGL_accelerate.arraydatatype, OpenGL_accelerate.latebind, OpenGL_accelerate.vbo, chimerax.surface._surface, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, psutil._psutil_osx, psutil._psutil_posix, PIL._imagingmath, chimerax.graphics._graphics, chimerax.pdb._pdbio, chimerax.atomic._ribbons, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.alignment_algs._sw, chimerax.dssp._dssp, chimerax.alignment_algs._nw (total: 55)


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===== Log before crash start =====
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 /Users/hmed/Downloads/cryosparc_P17_J25_006_volume_map_sharp.mrc

Opened cryosparc_P17_J25_006_volume_map_sharp.mrc as #1, grid size
280,280,280, pixel 1.66, shown at level 0.0681, step 2, values float32  

> open /Users/hmed/Downloads/cryosparc_P17_J25_006_volume_map_sharp.mrc

Opened cryosparc_P17_J25_006_volume_map_sharp.mrc as #2, grid size
280,280,280, pixel 1.66, shown at level 0.0681, step 2, values float32  

> volume #1 level 0.2092

> volume #1 step 1

> volume #1 level 0.2447

> close #2

> open /Users/hmed/Downloads/cryosparc_P17_J24_006_volume_map_sharp.mrc

Opened cryosparc_P17_J24_006_volume_map_sharp.mrc as #2, grid size
280,280,280, pixel 1.66, shown at level 0.0569, step 2, values float32  

> volume #2 step 1

> volume #2 level 0.3016

> volume #2 level 0.2571

> volume #2 level 0.226

> open /Users/hmed/Downloads/cryosparc_P17_J31_008_volume_map_sharp.mrc

Opened cryosparc_P17_J31_008_volume_map_sharp.mrc as #3, grid size
280,280,280, pixel 1.66, shown at level 0.0673, step 2, values float32  

> volume #3 step 1

> volume #3 level 0.2163

> volume #3 level 0.2402

> volume #3 level 0.276

> volume style mesh meshLighting false squareMesh false

> color #005FFF transparency 20 target s

> lighting model all directional false

> style ball

Changed 0 atom styles  

> size ballScale 0 stickRadius 0.08

Ball scale must be greater than 0.  

> color byelement target a

> color C #E0E000 target a

> set bgColor black

> camera ortho

> open /Users/hmed/Downloads/7z3z.pdb

7z3z.pdb title:  
Locked wuhan sars-COV2 prefusion spike ectodomain with lipid bound [more
info...]  
  
Chain information for 7z3z.pdb #4  
---  
Chain | Description | UniProt  
A B C | spike glycoprotein | SPIKE_SARS2 1-1208  
  
Non-standard residues in 7z3z.pdb #4  
---  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)  
STE — stearic acid  
  

> volume flip #3

Opened cryosparc_P17_J31_008_volume_map_sharp.mrc z flip as #5, grid size
280,280,280, pixel 1.66, shown at step 1, values float32  

> select add #4

52020 atoms, 52716 bonds, 15 pseudobonds, 3336 residues, 3 models selected  

> ui mousemode right ""translate selected models""

> view matrix models #4,1,0,0,4.4905,0,1,0,10.782,0,0,1,-15.807

> view matrix models #4,1,0,0,6.8287,0,1,0,10.241,0,0,1,-12.141

> ui tool show ""Fit in Map""

> fitmap #4 inMap #5

Fit molecule 7z3z.pdb (#4) to map cryosparc_P17_J31_008_volume_map_sharp.mrc z
flip (#5) using 52020 atoms  
average map value = 0.1455, steps = 80  
shifted from previous position = 2.74  
rotated from previous position = 7.59 degrees  
atoms outside contour = 41592, contour level = 0.27597  
  
Position of 7z3z.pdb (#4) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc z flip (#5) coordinates:  
Matrix rotation and translation  
0.99123746 -0.13202663 -0.00415479 40.65284166  
0.13202796 0.99124599 0.00004785 -19.72268286  
0.00411210 -0.00059597 0.99999137 -12.34568028  
Axis -0.00243701 -0.03129206 0.99950731  
Axis point 171.82981474 296.29149864 0.00000000  
Rotation angle (degrees) 7.59051950  
Shift along axis -11.82150570  
  

> select subtract #4

Nothing selected  

> select add #4

52020 atoms, 52716 bonds, 15 pseudobonds, 3336 residues, 3 models selected  

> ui mousemode right ""rotate selected models""

> view matrix models
> #4,0.9515,-0.30729,-0.015128,92.697,0.30536,0.94923,-0.075585,-34.509,0.037587,0.067299,0.99702,-35.202

> view matrix models
> #4,0.93538,-0.35331,-0.015242,107.1,0.35034,0.93167,-0.096224,-36.595,0.048197,0.084666,0.99524,-41.31

> view matrix models
> #4,0.93421,-0.35252,0.054634,92.065,0.35634,0.92931,-0.096981,-37.303,-0.016584,0.11007,0.99379,-31.578

> view matrix models
> #4,0.92343,-0.38135,0.043004,103.75,0.38375,0.91853,-0.095036,-41.701,-0.0032591,0.10426,0.99454,-33.545

> fitmap #4 inMap #5

Fit molecule 7z3z.pdb (#4) to map cryosparc_P17_J31_008_volume_map_sharp.mrc z
flip (#5) using 52020 atoms  
average map value = 0.1456, steps = 132  
shifted from previous position = 4.7  
rotated from previous position = 16.2 degrees  
atoms outside contour = 41576, contour level = 0.27597  
  
Position of 7z3z.pdb (#4) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc z flip (#5) coordinates:  
Matrix rotation and translation  
0.99124119 -0.13198337 -0.00461389 40.73396552  
0.13198555 0.99125163 0.00016898 -19.73470931  
0.00455122 -0.00077647 0.99998934 -12.40534785  
Axis -0.00357948 -0.03469929 0.99939139  
Axis point 172.31699301 296.87243324 0.00000000  
Rotation angle (degrees) 7.58892780  
Shift along axis -11.85882381  
  

> view matrix models
> #4,0.39455,-0.91886,0.0053496,360.08,0.91797,0.3939,-0.046588,-57.357,0.040701,0.023292,0.9989,-26.219

> view matrix models
> #4,0.39058,-0.92045,-0.015168,365.83,0.92,0.3897,0.041569,-75.959,-0.032351,-0.03019,0.99902,3.2607

> ui mousemode right ""translate selected models""

> view matrix models
> #4,0.39058,-0.92045,-0.015168,362.78,0.92,0.3897,0.041569,-64.095,-0.032351,-0.03019,0.99902,-2.6205

> select add #5

52020 atoms, 52716 bonds, 15 pseudobonds, 3336 residues, 5 models selected  

> select subtract #4

2 models selected  

> select subtract #5

Nothing selected  

> show #!3 models

> hide #!5 models

> select add #4

52020 atoms, 52716 bonds, 15 pseudobonds, 3336 residues, 3 models selected  

> view matrix models
> #4,0.39058,-0.92045,-0.015168,363.22,0.92,0.3897,0.041569,-63.973,-0.032351,-0.03019,0.99902,19.252

> view matrix models
> #4,0.39058,-0.92045,-0.015168,358.08,0.92,0.3897,0.041569,-67.604,-0.032351,-0.03019,0.99902,50.933

> ui mousemode right ""rotate selected models""

> view matrix models
> #4,0.97089,-0.21244,-0.11061,79.23,-0.20714,-0.97662,0.057524,508.65,-0.12024,-0.032938,-0.9922,503.43

> view matrix models
> #4,0.96893,-0.2151,-0.12213,82.799,-0.20787,-0.9757,0.069272,506.06,-0.13406,-0.041733,-0.99009,508.25

> view matrix models
> #4,0.97009,-0.214,-0.11457,80.635,-0.20744,-0.97598,0.066534,506.62,-0.12606,-0.040778,-0.99118,506.38

> view matrix models
> #4,0.96962,-0.21019,-0.12513,82.157,-0.20715,-0.97761,0.036985,513.33,-0.1301,-0.0099409,-0.99145,500.3

> ui mousemode right ""translate selected models""

> view matrix models
> #4,0.96962,-0.21019,-0.12513,74.913,-0.20715,-0.97761,0.036985,490.28,-0.1301,-0.0099409,-0.99145,507.04

> view matrix models
> #4,0.96962,-0.21019,-0.12513,81.69,-0.20715,-0.97761,0.036985,489.66,-0.1301,-0.0099409,-0.99145,507.75

> ui mousemode right ""rotate selected models""

> view matrix models
> #4,0.98248,-0.17587,-0.061706,57.037,-0.17798,-0.98356,-0.030412,498.76,-0.055344,0.040861,-0.99763,479.8

> ui mousemode right ""translate selected models""

> view matrix models
> #4,0.98248,-0.17587,-0.061706,65.965,-0.17798,-0.98356,-0.030412,498.79,-0.055344,0.040861,-0.99763,484.56

> view matrix models
> #4,0.98248,-0.17587,-0.061706,68.348,-0.17798,-0.98356,-0.030412,500.11,-0.055344,0.040861,-0.99763,483.26

> fitmap #4 inMap #3

Fit molecule 7z3z.pdb (#4) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 52020 atoms  
average map value = 0.234, steps = 124  
shifted from previous position = 8.27  
rotated from previous position = 7.1 degrees  
atoms outside contour = 34918, contour level = 0.27597  
  
Position of 7z3z.pdb (#4) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.96074048 -0.27744860 -0.00009584 79.01524467  
-0.27744858 -0.96074047 0.00018826 509.55919055  
-0.00014431 -0.00015428 -0.99999998 472.88917159  
Axis -0.99013663 0.14010514 0.00006114  
Axis point 0.00000000 260.39060995 236.42472826  
Rotation angle (degrees) 179.99008895  
Shift along axis -6.81511248  
  

> select subtract #4

Nothing selected  

> show surfaces

> hide surfaces

> lighting soft

> volume #!3 style surface

> select ::name=""STE""

165 atoms, 162 bonds, 3 residues, 1 model selected  

> open /Users/hmed/Downloads/6zb4.pdb

6zb4.pdb title:  
Sars cov-2 spike protein, closed conformation, C1 symmetry [more info...]  
  
Chain information for 6zb4.pdb #6  
---  
Chain | Description | UniProt  
A B C | spike glycoprotein | SPIKE_SARS2 1-1210  
  
Non-standard residues in 6zb4.pdb #6  
---  
EIC — linoleic acid (9,12-linoleic acid)  
NAG — 2-acetamido-2-deoxy-β-D-glucopyranose (N-acetyl-β-D-glucosamine;
2-acetamido-2-deoxy-β-D-glucose; 2-acetamido-2-deoxy-D-glucose;
2-acetamido-2-deoxy-glucose; N-acetyl-D-glucosamine)  
  

> mmaker #6 to #4

Computing secondary structure  
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 7z3z.pdb, chain C (#4) with 6zb4.pdb, chain A (#6), sequence
alignment score = 5721.5  
RMSD between 995 pruned atom pairs is 1.246 angstroms; (across all 1046 pairs:
1.453)  
  

> close #5

> fitmap #6 inMap #3

Fit molecule 6zb4.pdb (#6) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 24841 atoms  
average map value = 0.2539, steps = 72  
shifted from previous position = 1.12  
rotated from previous position = 0.327 degrees  
atoms outside contour = 15789, contour level = 0.27597  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.19188740 0.86315151 0.46706391 56.13621168  
-0.91456276 -0.01537571 0.40415163 292.81506960  
0.35602553 -0.50471087 0.78645582 168.34451145  
Axis -0.45450917 0.05552871 -0.88900955  
Axis point 151.57117030 160.54948454 0.00000000  
Rotation angle (degrees) 91.06096338  
Shift along axis -158.91465688  
  

> select add #6

25006 atoms, 25578 bonds, 32 pseudobonds, 3166 residues, 4 models selected  

> view matrix models
> #4,0.96074,-0.27745,-9.5839e-05,81.372,-0.27745,-0.96074,0.00018826,505.93,-0.00014431,-0.00015428,-1,478.7,#6,0.19189,0.86315,0.46706,58.493,-0.91456,-0.015376,0.40415,289.18,0.35603,-0.50471,0.78646,174.15

> view matrix models
> #4,0.96074,-0.27745,-9.5839e-05,79.686,-0.27745,-0.96074,0.00018826,506.7,-0.00014431,-0.00015428,-1,478.24,#6,0.19189,0.86315,0.46706,56.807,-0.91456,-0.015376,0.40415,289.96,0.35603,-0.50471,0.78646,173.7

> ui mousemode right ""rotate selected models""

> view matrix models
> #4,0.99014,-0.139,-0.017591,47.779,-0.13944,-0.98985,-0.027544,488.2,-0.013583,0.029726,-0.99947,474.81,#6,0.32527,0.84773,0.419,50.411,-0.86826,0.092208,0.48747,262.03,0.37461,-0.52236,0.76604,176.33

> ui mousemode right ""translate selected models""

> view matrix models
> #4,0.99014,-0.139,-0.017591,46.579,-0.13944,-0.98985,-0.027544,492.19,-0.013583,0.029726,-0.99947,474.63,#6,0.32527,0.84773,0.419,49.211,-0.86826,0.092208,0.48747,266.03,0.37461,-0.52236,0.76604,176.14

> view matrix models
> #4,0.99014,-0.139,-0.017591,46.849,-0.13944,-0.98985,-0.027544,492.03,-0.013583,0.029726,-0.99947,475.34,#6,0.32527,0.84773,0.419,49.482,-0.86826,0.092208,0.48747,265.86,0.37461,-0.52236,0.76604,176.86

> fitmap #6 inMap #3

Fit molecule 6zb4.pdb (#6) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 24841 atoms  
average map value = 0.2538, steps = 104  
shifted from previous position = 6.44  
rotated from previous position = 8.32 degrees  
atoms outside contour = 15797, contour level = 0.27597  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.19188362 0.86319372 0.46698746 56.14590728  
-0.91461024 -0.01527652 0.40404794 292.82222086  
0.35590559 -0.50464169 0.78655449 168.33599498  
Axis -0.45442191 0.05555036 -0.88905280  
Axis point 151.60223110 160.54012210 0.00000000  
Rotation angle (degrees) 91.05540224  
Shift along axis -158.90713935  
  

> view matrix models
> #4,0.99014,-0.139,-0.017591,47.631,-0.13944,-0.98985,-0.027544,492.11,-0.013583,0.029726,-0.99947,478.51,#6,0.19188,0.86319,0.46699,56.928,-0.91461,-0.015277,0.40405,292.91,0.35591,-0.50464,0.78655,171.51

> view matrix models
> #4,0.99014,-0.139,-0.017591,46.443,-0.13944,-0.98985,-0.027544,494.15,-0.013583,0.029726,-0.99947,477.13,#6,0.19188,0.86319,0.46699,55.74,-0.91461,-0.015277,0.40405,294.94,0.35591,-0.50464,0.78655,170.12

> view matrix models
> #4,0.99014,-0.139,-0.017591,45.64,-0.13944,-0.98985,-0.027544,492.82,-0.013583,0.029726,-0.99947,479.89,#6,0.19188,0.86319,0.46699,54.937,-0.91461,-0.015277,0.40405,293.61,0.35591,-0.50464,0.78655,172.89

> view matrix models
> #4,0.99014,-0.139,-0.017591,48.387,-0.13944,-0.98985,-0.027544,493.63,-0.013583,0.029726,-0.99947,479.06,#6,0.19188,0.86319,0.46699,57.684,-0.91461,-0.015277,0.40405,294.43,0.35591,-0.50464,0.78655,172.05

> view matrix models
> #4,0.99014,-0.139,-0.017591,43.397,-0.13944,-0.98985,-0.027544,490.24,-0.013583,0.029726,-0.99947,478.09,#6,0.19188,0.86319,0.46699,52.694,-0.91461,-0.015277,0.40405,291.03,0.35591,-0.50464,0.78655,171.09

> view matrix models
> #4,0.99014,-0.139,-0.017591,46.092,-0.13944,-0.98985,-0.027544,489.04,-0.013583,0.029726,-0.99947,478.66,#6,0.19188,0.86319,0.46699,55.389,-0.91461,-0.015277,0.40405,289.84,0.35591,-0.50464,0.78655,171.66

> fitmap #6 inMap #3

Fit molecule 6zb4.pdb (#6) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 24841 atoms  
average map value = 0.2538, steps = 128  
shifted from previous position = 4.53  
rotated from previous position = 0.0036 degrees  
atoms outside contour = 15795, contour level = 0.27597  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.19183504 0.86321886 0.46696093 56.15232829  
-0.91462239 -0.01529713 0.40401965 292.83831204  
0.35590054 -0.50459805 0.78658478 168.32616517  
Axis -0.45438610 0.05553964 -0.88907178  
Axis point 151.61333715 160.53908419 0.00000000  
Rotation angle (degrees) 91.05651697  
Shift along axis -158.90474578  
  

> hide #!4 models

> view matrix models
> #4,0.99014,-0.139,-0.017591,44.665,-0.13944,-0.98985,-0.027544,489.34,-0.013583,0.029726,-0.99947,483.57,#6,0.19184,0.86322,0.46696,54.726,-0.91462,-0.015297,0.40402,293.13,0.3559,-0.5046,0.78658,173.24

> ui mousemode right ""rotate selected models""

> view matrix models
> #4,0.99976,0.021942,0.0017779,4.1987,0.021991,-0.99915,-0.034882,456.4,0.0010111,0.034912,-0.99939,479.16,#6,0.33149,0.86172,0.38412,50.314,-0.86997,0.12166,0.47786,262.88,0.36505,-0.49258,0.79,170.41

> view matrix models
> #4,0.99961,0.024244,0.013909,0.76773,0.024549,-0.99945,-0.022182,452.75,0.013364,0.022514,-0.99966,479,#6,0.32944,0.86726,0.37327,51.126,-0.87368,0.13012,0.46877,263.29,0.35798,-0.48055,0.80058,168.4

> volume #3 level 0.1865

> view matrix models
> #4,0.99991,0.0092239,0.0093285,4.9513,0.0094578,-0.99963,-0.02535,457,0.0090912,0.025436,-0.99964,479.35,#6,0.31771,0.86708,0.38371,51.12,-0.8775,0.11556,0.46544,265.87,0.35923,-0.48458,0.79758,169.12

> view matrix models
> #4,0.99991,0.0060904,0.011987,4.9502,0.0062612,-0.99988,-0.014257,455.05,0.011898,0.014331,-0.99983,481.08,#6,0.31403,0.86875,0.38295,51.382,-0.88243,0.11826,0.45535,267.24,0.3503,-0.48092,0.80374,168.86

> fitmap #6 inMap #3

Fit molecule 6zb4.pdb (#6) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 24841 atoms  
average map value = 0.2539, steps = 232  
shifted from previous position = 4.63  
rotated from previous position = 8.54 degrees  
atoms outside contour = 12330, contour level = 0.18652  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.19187432 0.86323275 0.46691912 56.15002187  
-0.91461801 -0.01524314 0.40403161 292.83232845  
0.35589063 -0.50457593 0.78660345 168.33132832  
Axis -0.45438055 0.05552363 -0.88907561  
Axis point 151.61574647 160.53819194 0.00000000  
Rotation angle (degrees) 91.05330958  
Shift along axis -158.91364292  
  

> hide #!6 models

> select subtract #6

165 atoms, 162 bonds, 3 residues, 1 model selected  

> show #!4 models

> view matrix models
> #4,0.9997,0.023334,-0.007425,5.237,0.023133,-0.99939,-0.026131,453.53,-0.0080302,0.025951,-0.99963,483.05

> fitmap #4 inMap #3

Fit molecule 7z3z.pdb (#4) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 52020 atoms  
average map value = 0.2341, steps = 140  
shifted from previous position = 14.7  
rotated from previous position = 17.5 degrees  
atoms outside contour = 26893, contour level = 0.18652  
  
Position of 7z3z.pdb (#4) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.96074367 -0.27743727 -0.00039550 79.06393076  
-0.27743720 -0.96074375 0.00022697 509.55123729  
-0.00044295 -0.00010833 -0.99999990 472.96112260  
Axis -0.99013744 0.14009927 0.00021223  
Axis point 0.00000000 260.38940539 236.46720953  
Rotation angle (degrees) 179.99029854  
Shift along axis -6.79602357  
  

> select add #4

52020 atoms, 52716 bonds, 15 pseudobonds, 3336 residues, 3 models selected  

> select subtract #4

3 models selected  

> open /Users/hmed/Documents/SARS-CoV-2/KNP1/JN1-6/KP3-RBD-fromJN110.pdb

Chain information for KP3-RBD-fromJN110.pdb #5  
---  
Chain | Description  
A | No description available  
  

> mmaker #5 to #7

No 'to' model specified  

> mmaker #5 to #4

Computing secondary structure  
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 7z3z.pdb, chain A (#4) with KP3-RBD-fromJN110.pdb, chain A (#5),
sequence alignment score = 898.4  
RMSD between 189 pruned atom pairs is 0.822 angstroms; (across all 200 pairs:
1.081)  
  

> fitmap #6 inMap #3

Fit molecule 6zb4.pdb (#6) to map cryosparc_P17_J31_008_volume_map_sharp.mrc
(#3) using 24841 atoms  
average map value = 0.2538, steps = 172  
shifted from previous position = 0.00803  
rotated from previous position = 0.0097 degrees  
atoms outside contour = 12329, contour level = 0.18652  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.19181480 0.86321117 0.46698346 56.14874063  
-0.91468443 -0.01524063 0.40388131 292.85093490  
0.35575198 -0.50461292 0.78664244 168.34304734  
Axis -0.45432396 0.05562515 -0.88909819  
Axis point 151.63138869 160.54768294 0.00000000  
Rotation angle (degrees) 91.05382566  
Shift along axis -158.89333798  
  

> fitmap #5 inMap #3

Fit molecule KP3-RBD-fromJN110.pdb (#5) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1607 atoms  
average map value = 0.2117, steps = 72  
shifted from previous position = 4.99  
rotated from previous position = 10 degrees  
atoms outside contour = 694, contour level = 0.18652  
  
Position of KP3-RBD-fromJN110.pdb (#5) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
-0.99980714 -0.01961160 0.00102933 439.36931624  
0.01963794 -0.99797029 0.06057769 421.28147545  
-0.00016078 0.06058622 0.99816295 17.51638164  
Axis 0.00021726 0.03030782 0.99954059  
Axis point 217.61828727 212.53296218 0.00000000  
Rotation angle (degrees) 178.87499435  
Shift along axis 30.37191467  
  

> hide #5 models

> hide #!4 models

> show #5 models

> show #!4 models

> open /Users/hmed/Documents/SARS-CoV-2/KNP1/JN1-6/KP3-RBD-fromJN110.pdb

Chain information for KP3-RBD-fromJN110.pdb #7  
---  
Chain | Description  
A | No description available  
  

> mmaker #5 to #4/C

Computing secondary structure  
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 7z3z.pdb, chain C (#4) with KP3-RBD-fromJN110.pdb, chain A (#5),
sequence alignment score = 884  
RMSD between 189 pruned atom pairs is 0.823 angstroms; (across all 200 pairs:
1.081)  
  

> fitmap #7 inMap #3

Fit molecule KP3-RBD-fromJN110.pdb (#7) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1607 atoms  
average map value = -0.01687, steps = 192  
shifted from previous position = 4.02  
rotated from previous position = 17 degrees  
atoms outside contour = 1607, contour level = 0.18652  
  
Position of KP3-RBD-fromJN110.pdb (#7) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.97082224 0.16537043 -0.17365715 5.36131596  
-0.13337835 0.97419837 0.18206524 -4.13574777  
0.19928472 -0.15359087 0.96783028 -2.51806889  
Axis -0.57479954 -0.63865013 -0.51159701  
Axis point 15.47593322 0.00000000 31.07909351  
Rotation angle (degrees) 16.97633333  
Shift along axis 0.84785039  
  

> mmaker #7 to #4/A

Computing secondary structure  
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 7z3z.pdb, chain A (#4) with KP3-RBD-fromJN110.pdb, chain A (#7),
sequence alignment score = 898.4  
RMSD between 189 pruned atom pairs is 0.822 angstroms; (across all 200 pairs:
1.081)  
  

> fitmap #7 inMap #3

Fit molecule KP3-RBD-fromJN110.pdb (#7) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1607 atoms  
average map value = 0.2117, steps = 72  
shifted from previous position = 4.99  
rotated from previous position = 10 degrees  
atoms outside contour = 694, contour level = 0.18652  
  
Position of KP3-RBD-fromJN110.pdb (#7) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
-0.99980714 -0.01961160 0.00102933 439.36931624  
0.01963794 -0.99797029 0.06057769 421.28147545  
-0.00016078 0.06058622 0.99816295 17.51638165  
Axis 0.00021726 0.03030782 0.99954059  
Axis point 217.61828727 212.53296218 0.00000000  
Rotation angle (degrees) 178.87499435  
Shift along axis 30.37191473  
  

> fitmap #5 inMap #3

Fit molecule KP3-RBD-fromJN110.pdb (#5) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1607 atoms  
average map value = 0.2118, steps = 76  
shifted from previous position = 4.96  
rotated from previous position = 9.82 degrees  
atoms outside contour = 689, contour level = 0.18652  
  
Position of KP3-RBD-fromJN110.pdb (#5) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.48704474 0.87172152 -0.05374962 -35.49639840  
-0.87337699 0.48610583 -0.03022836 315.97422193  
-0.00022271 0.06166624 0.99809680 17.32245786  
Axis 0.05256118 -0.03061592 -0.99814828  
Axis point 250.94919051 186.64994077 0.00000000  
Rotation angle (degrees) 60.94665743  
Shift along axis -28.82995496  
  

> open /Users/hmed/Documents/SARS-CoV-2/KNP1/JN1-6/JN1-4/delta-rbd-
> JN1-4-p21_refine_7.pdb

Chain information for delta-rbd-JN1-4-p21_refine_7.pdb #8  
---  
Chain | Description  
A | No description available  
B L | No description available  
E R | No description available  
H | No description available  
  

> mmaker #8 to #4/B

Computing secondary structure  
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 7z3z.pdb, chain B (#4) with delta-rbd-JN1-4-p21_refine_7.pdb, chain
E (#8), sequence alignment score = 932.1  
RMSD between 178 pruned atom pairs is 0.833 angstroms; (across all 194 pairs:
1.444)  
  

> select #8/E /H /L

4807 atoms, 4930 bonds, 1 pseudobond, 632 residues, 2 models selected  

> select ~sel & ##selected

5067 atoms, 4934 bonds, 1 pseudobond, 890 residues, 2 models selected  

> delete sel

> mmaker #8 to #4/B

Computing secondary structure  
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 7z3z.pdb, chain B (#4) with delta-rbd-JN1-4-p21_refine_7.pdb, chain
E (#8), sequence alignment score = 932.1  
RMSD between 178 pruned atom pairs is 0.833 angstroms; (across all 194 pairs:
1.444)  
  

> mmaker #8/E to #4/B

Computing secondary structure  
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 7z3z.pdb, chain B (#4) with delta-rbd-JN1-4-p21_refine_7.pdb, chain
E (#8), sequence alignment score = 932.1  
RMSD between 178 pruned atom pairs is 0.833 angstroms; (across all 194 pairs:
1.444)  
  

> show #5,7#!4,8 cartoons

> hide #5,7#!4,8 atoms

> select #8/E

1551 atoms, 1596 bonds, 196 residues, 1 model selected  

> fitmap sel inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#8) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1551 atoms  
average map value = 0.2009, steps = 60  
shifted from previous position = 4.83  
rotated from previous position = 8.91 degrees  
atoms outside contour = 704, contour level = 0.18652  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#8) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
-0.12283632 -0.84503049 -0.52041783 207.19781342  
-0.28895455 -0.47121654 0.83334281 199.66482956  
-0.94942957 0.25274186 -0.18629290 218.49898152  
Axis -0.63715072 0.47079693 0.61023701  
Axis point 0.00000000 206.71091561 179.19248005  
Rotation angle (degrees) 152.89497870  
Shift along axis 95.32151652  
  

> select add #8

4807 atoms, 4930 bonds, 1 pseudobond, 632 residues, 2 models selected  

> select subtract #8

Nothing selected  

> select #8/H:96-109

99 atoms, 99 bonds, 14 residues, 1 model selected  

> select ~sel & ##selected

4708 atoms, 4831 bonds, 1 pseudobond, 618 residues, 2 models selected  

> open /Users/hmed/Documents/SARS-CoV-2/KNP1/JN1-6/KP3-RBD-fromJN110.pdb

Chain information for KP3-RBD-fromJN110.pdb #9  
---  
Chain | Description  
A | No description available  
  

> mmaker #9 to #4/B

Computing secondary structure  
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 7z3z.pdb, chain B (#4) with KP3-RBD-fromJN110.pdb, chain A (#9),
sequence alignment score = 898.4  
RMSD between 189 pruned atom pairs is 0.822 angstroms; (across all 200 pairs:
1.081)  
  

> fitmap #9 inMap #3

Fit molecule KP3-RBD-fromJN110.pdb (#9) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1607 atoms  
average map value = 0.2118, steps = 76  
shifted from previous position = 5.01  
rotated from previous position = 9.93 degrees  
atoms outside contour = 687, contour level = 0.18652  
  
Position of KP3-RBD-fromJN110.pdb (#9) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.51719138 -0.85423682 0.05284439 292.05593032  
0.85586916 0.51613003 -0.03313272 -41.58743365  
0.00102861 0.06236384 0.99805295 16.96539491  
Axis 0.05573012 0.03023878 0.99798786  
Axis point 183.26999714 236.22374077 0.00000000  
Rotation angle (degrees) 58.95660203  
Shift along axis 31.95001558  
  

> delete sel

> hide #!4 models

> lighting soft

> set bgColor white

> color #9 #5e42ffff

> color #9 #211759ff

> graphics silhouettes true

> volume #3 level 0.2574

> volume #3 level 0.1865

> volume #3 level 0.2169

> ui tool show ""Side View""

> volume #3 level 0.1702

> open /Users/hmed/Documents/SARS-CoV-2/KNP1/JN1-6/JN1-4/delta-rbd-
> JN1-4-p21_refine_7.pdb

Chain information for delta-rbd-JN1-4-p21_refine_7.pdb #10  
---  
Chain | Description  
A | No description available  
B L | No description available  
E R | No description available  
H | No description available  
  

> select #9/H:96-109 /E

Nothing selected  

> select #10/H:96-109 /E

1650 atoms, 1695 bonds, 210 residues, 1 model selected  

> select ~sel & ##selected

8224 atoms, 8169 bonds, 2 pseudobonds, 1312 residues, 2 models selected  

> delete sel

> mmaker #10 #7/A

> matchmaker #10 #7/A

Missing required ""to"" argument  

> mmaker #10 to #7/A

Computing secondary structure  
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 KP3-RBD-fromJN110.pdb, chain A (#7) with delta-rbd-
JN1-4-p21_refine_7.pdb, chain E (#10), sequence alignment score = 823  
RMSD between 178 pruned atom pairs is 0.726 angstroms; (across all 193 pairs:
1.223)  
  

> fitmap #10 inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#10) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1650 atoms  
average map value = 0.1928, steps = 64  
shifted from previous position = 0.252  
rotated from previous position = 2.49 degrees  
atoms outside contour = 693, contour level = 0.17016  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#10) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.32839427 0.82376083 -0.46214209 272.40151182  
0.02903450 -0.49784961 -0.86677723 226.77560065  
-0.94409438 0.27122661 -0.18740844 218.87240943  
Axis 0.77450706 0.32800896 -0.54087792  
Axis point -0.00000000 -31.66179674 253.15605749  
Rotation angle (degrees) 132.72122661  
Shift along axis 166.97807084  
  

> show #5,7,9#!8,10 cartoons

> hide #5,7,9#!8,10 atoms

> select #10/H:96-109

99 atoms, 99 bonds, 14 residues, 1 model selected  

> select add #10

1650 atoms, 1695 bonds, 210 residues, 1 model selected  

> select subtract #10

Nothing selected  

> hide #7 models

> show #5,9#!8,10 atoms

> style #5,9#!8,10 stick

Changed 4963 atom styles  

> fitmap #10 inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#10) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1650 atoms  
average map value = 0.1928, steps = 48  
shifted from previous position = 0.0142  
rotated from previous position = 0.0263 degrees  
atoms outside contour = 694, contour level = 0.17016  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#10) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.32821422 0.82379382 -0.46221117 272.40832670  
0.02863067 -0.49776872 -0.86683712 226.76845461  
-0.94416932 0.27127485 -0.18696055 218.86917963  
Axis 0.77441096 0.32794109 -0.54105666  
Axis point 0.00000000 -31.69700002 253.23002756  
Rotation angle (degrees) 132.70762927  
Shift along axis 166.90206110  
  

> select #10/E

1551 atoms, 1596 bonds, 196 residues, 1 model selected  

> fitmap #10 inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#10) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1650 atoms  
average map value = 0.1927, steps = 48  
shifted from previous position = 0.0274  
rotated from previous position = 0.0556 degrees  
atoms outside contour = 694, contour level = 0.17016  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#10) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.32832911 0.82369649 -0.46230302 272.40325805  
0.02948838 -0.49813562 -0.86659757 226.77566473  
-0.94410298 0.27089664 -0.18784190 218.85300924  
Axis 0.77454237 0.32806715 -0.54079206  
Axis point -0.00000000 -31.60088311 253.08230654  
Rotation angle (degrees) 132.75183036  
Shift along axis 167.03154277  
  

> fitmap #10 inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#10) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1650 atoms  
average map value = 0.1928, steps = 44  
shifted from previous position = 0.0199  
rotated from previous position = 0.0376 degrees  
atoms outside contour = 694, contour level = 0.17016  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#10) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.32838624 0.82375290 -0.46216192 272.40660008  
0.02893636 -0.49784060 -0.86678569 226.77566842  
-0.94410019 0.27126720 -0.18732041 218.87500120  
Axis 0.77449713 0.32798107 -0.54090907  
Axis point 0.00000000 -31.66717120 253.17302528  
Rotation angle (degrees) 132.71775612  
Shift along axis 166.96478366  
  

> fitmap #10 inMap #3

Fit molecule delta-rbd-JN1-4-p21_refine_7.pdb (#10) to map
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) using 1650 atoms  
average map value = 0.1927, steps = 48  
shifted from previous position = 0.0273  
rotated from previous position = 0.061 degrees  
atoms outside contour = 692, contour level = 0.17016  
  
Position of delta-rbd-JN1-4-p21_refine_7.pdb (#10) relative to
cryosparc_P17_J31_008_volume_map_sharp.mrc (#3) coordinates:  
Matrix rotation and translation  
0.32876096 0.82377326 -0.46185912 272.41539897  
0.02991757 -0.49788233 -0.86672840 226.78962114  
-0.94393918 0.27112876 -0.18832957 218.87443505  
Axis 0.77469323 0.32821708 -0.54048491  
Axis point -0.00000000 -31.62423291 253.00762668  
Rotation angle (degrees) 132.74412692  
Shift along axis 167.17626385  
  

> select add #10

1650 atoms, 1695 bonds, 210 residues, 1 model selected  

> select subtract #10

Nothing selected  

> open /Users/hmed/Downloads/cryosparc_P15_J63_004_volume_map_sharp.mrc

Opened cryosparc_P15_J63_004_volume_map_sharp.mrc as #11, grid size
560,560,560, pixel 0.829, shown at level 0.0176, step 4, values float32  

> volume #11 level 0.05163

> volume #11 step 1

> volume #11 level 0.06556

> hide #5 models

> hide #!8 models

> hide #9 models

> hide #!10 models

> volume #11 level 0.07717

> volume #11 level 0.08181

> volume #11 level 0.09088

> open /Users/hmed/Documents/SARS-CoV-2/JN1fabs/JN1-10/RBD-AF-
> JN10_fit2JN10globalmap-coot-3.pdb /Users/hmed/Documents/SARS-
> CoV-2/JN1fabs/JN1-10/RBD-AF-JN10_fit2JN10globalmap-coot-2.pdb
> /Users/hmed/Documents/SARS-CoV-2/JN1fabs/JN1-10/RBD-AF-
> JN10_fit2JN10globalmap-coot-1.pdb

Summary of feedback from opening /Users/hmed/Documents/SARS-
CoV-2/JN1fabs/JN1-10/RBD-AF-JN10_fit2JN10globalmap-coot-3.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 6 6 GLY A 499 HIS A 502 1 4  
Start residue of secondary structure not found: SHEET 1 1 1 ARG A 316 ARG A
316 0  
Start residue of secondary structure not found: SHEET 2 2 2 GLU A 321 ARG A
325 0  
End residue of secondary structure not found: SHEET 7 7 7 ASN A 391 ARG A 400
0  
Start residue of secondary structure not found: SHEET 9 9 9 GLN A 449 ARG A
451 0  
Start residue of secondary structure not found: SHEET 11 1111 CYS A 485 TYR A
486 0  
Start residue of secondary structure not found: SHEET 12 1212 LEU A 489 SER A
491 0  
Start residue of secondary structure not found: SHEET 13 1313 PRO A 504 GLU A
513 0  
Start residue of secondary structure not found: SHEET 14 1414 VAL A 521 CYS A
522 0  
5 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (522 )  
Cannot find LINK/SSBOND residue CYS (485 )  
Cannot find LINK/SSBOND residue CYS (535 )  
  
Summary of feedback from opening /Users/hmed/Documents/SARS-
CoV-2/JN1fabs/JN1-10/RBD-AF-JN10_fit2JN10globalmap-coot-2.pdb  
---  
warnings | Start residue of secondary structure not found: HELIX 6 6 GLY A 499 HIS A 502 1 4  
Start residue of secondary structure not found: SHEET 1 1 1 ARG A 316 ARG A
316 0  
Start residue of secondary structure not found: SHEET 2 2 2 GLU A 321 ARG A
325 0  
End residue of secondary structure not found: SHEET 7 7 7 ASN A 391 ARG A 400
0  
Start residue of secondary structure not found: SHEET 9 9 9 GLN A 449 ARG A
451 0  
Start residue of secondary structure not found: SHEET 11 1111 CYS A 485 TYR A
486 0  
Start residue of secondary structure not found: SHEET 12 1212 LEU A 489 SER A
491 0  
Start residue of secondary structure not found: SHEET 13 1313 PRO A 504 GLU A
513 0  
Start residue of secondary structure not found: SHEET 14 1414 VAL A 521 CYS A
522 0  
5 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (522 )  
Cannot find LINK/SSBOND residue CYS (485 )  
Cannot find LINK/SSBOND residue CYS (535 )  
  
Summary of feedback from opening /Users/hmed/Documents/SARS-
CoV-2/JN1fabs/JN1-10/RBD-AF-JN10_fit2JN10globalmap-coot-1.pdb  
---  
warnings | Start residue of secondary structure not found: SHEET 1 1 1 ARG A 316 ARG A 316 0  
Start residue of secondary structure not found: SHEET 2 2 2 GLU A 321 ARG A
325 0  
Start residue of secondary structure not found: SHEET 15 1515 CYS A 535 PHE A
540 0  
Start residue of secondary structure not found: SHEET 16 1616 LEU A 543 GLU A
551 0  
Start residue of secondary structure not found: SHEET 17 1717 PHE A 562 GLY A
563 0  
2 messages similar to the above omitted  
Cannot find LINK/SSBOND residue CYS (535 )  
  
RBD-AF-JN10_fit2JN10globalmap-coot-3.pdb title:  
Ba.2-07 fab In complex with sars-cov-2 Ba.2.12.1 spike glycoprotein [more
info...]  
  
Chain information for RBD-AF-JN10_fit2JN10globalmap-coot-3.pdb #12  
---  
Chain | Description | UniProt  
A | spike glycoprotein,fibritin | SPIKE_SARS2 1-1205, WAC_BPT4 1208-1234  
B | spike glycoprotein,fibritin |   
C | spike glycoprotein,fibritin |   
  
RBD-AF-JN10_fit2JN10globalmap-coot-2.pdb title:  
Ba.2-07 fab In complex with sars-cov-2 Ba.2.12.1 spike glycoprotein [more
info...]  
  
Chain information for RBD-AF-JN10_fit2JN10globalmap-coot-2.pdb #13  
---  
Chain | Description | UniProt  
A | spike glycoprotein,fibritin | SPIKE_SARS2 1-1205, WAC_BPT4 1208-1234  
B | spike glycoprotein,fibritin |   
C | spike glycoprotein,fibritin |   
  
RBD-AF-JN10_fit2JN10globalmap-coot-1.pdb title:  
Ba.2-07 fab In complex with sars-cov-2 Ba.2.12.1 spike glycoprotein [more
info...]  
  
Chain information for RBD-AF-JN10_fit2JN10globalmap-coot-1.pdb #14  
---  
Chain | Description | UniProt  
A | spike glycoprotein,fibritin | SPIKE_SARS2 1-1205, WAC_BPT4 1208-1234  
B | spike glycoprotein,fibritin |   
C | spike glycoprotein,fibritin |   
  

> select add #11

4 models selected  

> select add #12

3344 atoms, 3442 bonds, 430 residues, 5 models selected  

> select add #13

6688 atoms, 6884 bonds, 860 residues, 6 models selected  

> select add #14

10008 atoms, 10299 bonds, 1288 residues, 7 models selected  

> select subtract #11

10008 atoms, 10299 bonds, 1288 residues, 3 models selected  

> view matrix models
> #12,0.019905,-0.89142,-0.45274,511,-0.99516,0.025902,-0.094753,438.34,0.096192,0.45244,-0.88659,375.82,#13,0.019905,-0.89142,-0.45274,511,-0.99516,0.025902,-0.094753,438.34,0.096192,0.45244,-0.88659,375.82,#14,0.019905,-0.89142,-0.45274,511,-0.99516,0.025902,-0.094753,438.34,0.096192,0.45244,-0.88659,375.82

> view matrix models
> #12,-0.58592,0.65639,-0.47523,327.67,0.27313,0.71209,0.64679,-167.05,0.76295,0.24917,-0.59651,199.65,#13,-0.58592,0.65639,-0.47523,327.67,0.27313,0.71209,0.64679,-167.05,0.76295,0.24917,-0.59651,199.65,#14,-0.58592,0.65639,-0.47523,327.67,0.27313,0.71209,0.64679,-167.05,0.76295,0.24917,-0.59651,199.65

> select subtract #12

6664 atoms, 6857 bonds, 858 residues, 2 models selected  

> select subtract #13

3320 atoms, 3415 bonds, 428 residues, 1 model selected  

> select subtract #14

Nothing selected  

> show #!6 models

> select add #6

24841 atoms, 25416 bonds, 32 pseudobonds, 3163 residues, 3 models selected  

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.96091,0.27672,0.0085009,103.67,-0.20278,0.6826,0.7021,98.119,0.18848,-0.67638,0.71203,215.59

> ui mousemode right ""translate selected models""

> view matrix models
> #6,0.96091,0.27672,0.0085009,100.89,-0.20278,0.6826,0.7021,105.62,0.18848,-0.67638,0.71203,224.76

> view matrix models
> #6,0.96091,0.27672,0.0085009,95.643,-0.20278,0.6826,0.7021,102.79,0.18848,-0.67638,0.71203,223.48

> ui mousemode right ""rotate selected models""

> view matrix models
> #6,0.94283,0.31557,-0.10716,106.42,-0.10058,0.57599,0.81124,92.547,0.31773,-0.75409,0.5748,236.13

> view matrix models
> #6,0.90242,0.37959,-0.20385,114.12,-0.10477,0.65223,0.75075,90.735,0.41793,-0.65613,0.62835,207.42

> view matrix models
> #6,0.93686,0.3263,-0.12576,107.91,-0.19199,0.78053,0.5949,102.31,0.29228,-0.5332,0.7939,185.44

> view matrix models
> #6,0.9168,0.36503,-0.16199,109.48,-0.21209,0.78873,0.57699,105.48,0.33838,-0.49463,0.80052,175.17

> ui mousemode right ""translate selected models""

> view matrix models
> #6,0.9168,0.36503,-0.16199,102.17,-0.21209,0.78873,0.57699,101.45,0.33838,-0.49463,0.80052,178.23

> view matrix models
> #6,0.9168,0.36503,-0.16199,105.87,-0.21209,0.78873,0.57699,100.71,0.33838,-0.49463,0.80052,174.87

> fitmap #6 inMap #11

Fit molecule 6zb4.pdb (#6) to map cryosparc_P15_J63_004_volume_map_sharp.mrc
(#11) using 24841 atoms  
average map value = 0.07165, steps = 112  
shifted from previous position = 6.16  
rotated from previous position = 4.27 degrees  
atoms outside contour = 16605, contour level = 0.090884  
  
Position of 6zb4.pdb (#6) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
0.90008770 0.42014723 -0.11540560 92.34350277  
-0.27684266 0.75600657 0.59313762 108.82688704  
0.33645251 -0.50192668 0.79678689 171.61041132  
Axis -0.79672410 -0.32875352 -0.50710140  
Axis point 0.00000000 148.92025153 -13.37442975  
Rotation angle (degrees) 43.41118160  
Shift along axis -196.37339679  
  

> select subtract #6

Nothing selected  

> volume #11 level 0.06934

> transparency #11.1 50

> hide #13 models

> hide #14 models

> mmaker #12 to #6/B

Computing secondary structure  
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 6zb4.pdb, chain B (#6) with RBD-AF-JN10_fit2JN10globalmap-
coot-3.pdb, chain A (#12), sequence alignment score = 870.8  
RMSD between 177 pruned atom pairs is 0.985 angstroms; (across all 200 pairs:
1.359)  
  

> show #!11 models

> color #12#!6 bychain

> hide #!6 models

> select #12/B #12/C

1737 atoms, 1780 bonds, 230 residues, 1 model selected  

> delete sel

> open ""/Users/hmed/Documents/SARS-CoV-2/JN1fabs/JN1-3/fold_2025_01_29_18_20
> (1)/fold_2025_01_29_18_20_model_0.cif""

Chain information for fold_2025_01_29_18_20_model_0.cif #15  
---  
Chain | Description  
A | .  
B | .  
  
Computing secondary structure  

> select add #15

1793 atoms, 1839 bonds, 230 residues, 1 model selected  

> ui mousemode right ""translate selected models""

> view matrix models #15,1,0,0,198.89,0,1,0,358.05,0,0,1,56.753

> view matrix models #15,1,0,0,219.28,0,1,0,285.77,0,0,1,176.46

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,0.65797,0.038298,0.75207,216.06,0.33611,-0.90864,-0.24778,281.76,0.67388,0.41581,-0.61073,184.69

> view matrix models
> #15,0.79318,-0.43326,0.42796,216.16,-0.43088,-0.89588,-0.10836,280.44,0.43035,-0.098448,-0.89728,184.13

> view matrix models
> #15,0.86779,0.24918,0.42994,218.14,-0.25911,-0.51138,0.81936,278.03,0.42403,-0.82244,-0.37921,180.06

> ui mousemode right ""translate selected models""

> view matrix models
> #15,0.86779,0.24918,0.42994,212.38,-0.25911,-0.51138,0.81936,270.93,0.42403,-0.82244,-0.37921,175.74

> view matrix models
> #15,0.86779,0.24918,0.42994,218.2,-0.25911,-0.51138,0.81936,267.61,0.42403,-0.82244,-0.37921,168.72

> view matrix models
> #15,0.86779,0.24918,0.42994,224.19,-0.25911,-0.51138,0.81936,264.53,0.42403,-0.82244,-0.37921,178.77

> view matrix models
> #15,0.86779,0.24918,0.42994,224.92,-0.25911,-0.51138,0.81936,264.34,0.42403,-0.82244,-0.37921,178.67

> view matrix models
> #15,0.86779,0.24918,0.42994,226.4,-0.25911,-0.51138,0.81936,263.28,0.42403,-0.82244,-0.37921,179.13

> view matrix models
> #15,0.86779,0.24918,0.42994,226.93,-0.25911,-0.51138,0.81936,264.54,0.42403,-0.82244,-0.37921,177.79

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,-0.84404,-0.047887,-0.53413,228.11,0.32726,0.74305,-0.58376,274.21,0.42484,-0.66752,-0.6115,179.14

> view matrix models
> #15,-0.69089,-0.25712,-0.67569,228.25,0.12948,0.8755,-0.46554,273.9,0.71127,-0.40913,-0.57159,180.01

> view matrix models
> #15,0.9398,-0.14043,0.31154,226.38,-0.32301,-0.66264,0.6757,264.62,0.11155,-0.73566,-0.66811,178.85

> view matrix models
> #15,0.83443,0.2725,0.47904,226.77,-0.20912,-0.64765,0.73268,264.56,0.5099,-0.71154,-0.48343,178.6

> view matrix models
> #15,0.92837,0.11403,0.35372,226.92,-0.29239,-0.36342,0.88455,264.66,0.22941,-0.92462,-0.30405,177

> fitmap #15 inMap #11

Fit molecule fold_2025_01_29_18_20_model_0.cif (#15) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1793 atoms  
average map value = 0.06048, steps = 120  
shifted from previous position = 8.6  
rotated from previous position = 7.84 degrees  
atoms outside contour = 1126, contour level = 0.069335  
  
Position of fold_2025_01_29_18_20_model_0.cif (#15) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
0.93258477 0.15457222 0.32617951 228.52945250  
-0.28532482 -0.23779278 0.92846342 260.04835310  
0.22107779 -0.95893796 -0.17765864 183.94255969  
Axis -0.97246884 0.05415284 -0.22665352  
Axis point 0.00000000 187.55594009 -44.61443343  
Rotation angle (degrees) 103.97115200  
Shift along axis -249.84664301  
  

> fitmap #12 inMap #11

Fit molecule RBD-AF-JN10_fit2JN10globalmap-coot-3.pdb (#12) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1607 atoms  
average map value = 0.07725, steps = 76  
shifted from previous position = 4.6  
rotated from previous position = 2.1 degrees  
atoms outside contour = 731, contour level = 0.069335  
  
Position of RBD-AF-JN10_fit2JN10globalmap-coot-3.pdb (#12) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
-0.88225961 0.44731449 0.14672333 295.12374959  
0.43240956 0.89323628 -0.12308911 -12.43377372  
-0.18611815 -0.04515198 -0.98148935 497.60651162  
Axis 0.22777363 0.97273927 -0.04356012  
Axis point 171.12430063 0.00000000 235.78945556  
Rotation angle (degrees) 170.14911203  
Shift along axis 33.45079157  
  

> select subtract #15

Nothing selected  

> ui tool show ""Side View""

> view orient

> color #11 #e5ffff80 models

> color #11 #bed4d480 models

> lighting full

> volume #11 level 0.07748

> lighting soft

> lighting full

> lighting simple

> show #12,15 atoms

> open /Users/hmed/Downloads/cryosparc_P15_J63_005_volume_map_sharp.mrc

Opened cryosparc_P15_J63_005_volume_map_sharp.mrc as #16, grid size
560,560,560, pixel 0.829, shown at level 0.0182, step 4, values float32  

> select add #15

1793 atoms, 1839 bonds, 230 residues, 1 model selected  

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,0.58494,-0.4014,0.70479,225.02,0.24606,-0.74018,-0.62577,264.27,0.77286,0.53946,-0.33419,190.04

> view matrix models
> #15,0.27954,-0.83527,-0.47348,227.37,-0.93316,-0.12028,-0.33875,264.23,0.226,0.53653,-0.81306,191.18

> view matrix models
> #15,-0.4923,-0.86717,-0.075175,225.15,-0.65514,0.42602,-0.62394,267.32,0.57309,-0.25792,-0.77785,188.72

> view matrix models
> #15,-0.67577,-0.60445,-0.42188,227.06,-0.50968,0.79663,-0.32497,267.67,0.53251,-0.004582,-0.84641,189.77

> view matrix models
> #15,-0.68086,-0.63405,-0.36661,226.76,-0.55553,0.77328,-0.30566,267.48,0.4773,-0.004449,-0.87873,189.83

> view matrix models
> #15,-0.72267,-0.58577,-0.36691,226.89,-0.53488,0.81016,-0.23989,267.39,0.43778,0.022892,-0.89879,189.95

> view matrix models
> #15,-0.60901,-0.7828,0.12781,224.61,-0.75727,0.62177,0.19986,265.02,-0.23592,0.024931,-0.97145,189.57

> view matrix models
> #15,-0.79201,-0.61035,-0.013843,225.51,-0.60977,0.79197,-0.031206,266.54,0.03001,-0.016274,-0.99942,189.78

> view matrix models
> #15,-0.92564,-0.36609,0.095711,225.82,-0.34459,0.92004,0.1865,266.46,-0.15633,0.13965,-0.97778,190.06

> view matrix models
> #15,-0.98323,-0.10162,0.15146,226.46,-0.13783,0.95782,-0.25216,268.31,-0.11945,-0.2688,-0.95576,188.64

> view matrix models
> #15,-0.7211,0.024546,0.6924,225.26,-0.24701,0.92459,-0.29003,268.22,-0.6473,-0.38017,-0.66066,186.74

> view matrix models
> #15,-0.61653,-0.60564,0.50308,223.9,-0.62102,0.76684,0.16211,265.77,-0.48396,-0.21248,-0.8489,188.12

> view matrix models
> #15,-0.68571,-0.54032,0.48771,224.1,-0.57483,0.81302,0.092525,266.21,-0.44651,-0.2169,-0.86809,188.2

> view matrix models
> #15,-0.73727,-0.50977,0.44337,224.31,-0.52264,0.8462,0.10384,266.33,-0.42811,-0.15516,-0.8903,188.51

> view matrix models
> #15,-0.72597,-0.57663,0.3748,224.34,-0.57712,0.80719,0.12402,266.08,-0.37405,-0.12627,-0.91877,188.75

> fitmap #15 inMap #11

Fit molecule fold_2025_01_29_18_20_model_0.cif (#15) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1793 atoms  
average map value = 0.06184, steps = 160  
shifted from previous position = 6.67  
rotated from previous position = 27.6 degrees  
atoms outside contour = 1264, contour level = 0.077475  
  
Position of fold_2025_01_29_18_20_model_0.cif (#15) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
-0.89572668 -0.33485892 0.29247770 229.26512856  
-0.21542212 0.90233390 0.37334545 260.39744845  
-0.38893061 0.27140932 -0.88038057 190.34037280  
Axis -0.14577583 0.97446177 0.17080302  
Axis point 147.73958778 0.00000000 47.70026056  
Rotation angle (degrees) 159.53512022  
Shift along axis 252.83675398  
  

> undo

> redo

> undo

> ui mousemode right ""translate selected models""

> view matrix models
> #15,-0.68086,-0.63405,-0.36661,223.67,-0.55553,0.77328,-0.30566,268.02,0.4773,-0.004449,-0.87873,187.94

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,-0.21383,-0.13784,-0.9671,227.87,-0.087472,0.98872,-0.12159,268.55,0.97295,0.058596,-0.22347,186.34

> view matrix models
> #15,-0.22809,-0.14756,-0.96239,227.81,-0.080994,0.9879,-0.13228,268.59,0.97027,0.047778,-0.23728,186.35

> view matrix models
> #15,-0.38819,-0.85305,0.34874,220.73,-0.76207,0.50992,0.39903,264.49,-0.51823,-0.11086,-0.84803,186.54

> view matrix models
> #15,0.23677,-0.85974,0.45253,220.94,-0.66097,0.19883,0.72359,262.41,-0.71208,-0.47043,-0.52118,184.01

> view matrix models
> #15,0.43245,-0.79701,0.42162,221.44,-0.60194,0.092953,0.79312,261.87,-0.67131,-0.59677,-0.43955,183.34

> fitmap #15 inMap #11

Fit molecule fold_2025_01_29_18_20_model_0.cif (#15) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1793 atoms  
average map value = 0.05264, steps = 120  
shifted from previous position = 5.01  
rotated from previous position = 19.4 degrees  
atoms outside contour = 1421, contour level = 0.077475  
  
Position of fold_2025_01_29_18_20_model_0.cif (#15) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
0.66543906 -0.72173863 0.19048413 226.01574689  
-0.40695859 -0.13685421 0.90313655 261.01103424  
-0.62575998 -0.67850149 -0.38478587 184.75581762  
Axis -0.87506007 0.45159677 0.17415580  
Axis point 0.00000000 258.63697662 12.69696718  
Rotation angle (degrees) 115.34707400  
Shift along axis -47.72931792  
  

> view matrix models
> #15,0.81064,-0.30318,0.50094,226.48,-0.53472,-0.034694,0.84431,261.44,-0.2386,-0.9523,-0.19024,183.53

> ui mousemode right ""translate selected models""

> view matrix models
> #15,0.81064,-0.30318,0.50094,220.01,-0.53472,-0.034694,0.84431,266.16,-0.2386,-0.9523,-0.19024,181.6

> view matrix models
> #15,0.81064,-0.30318,0.50094,225.2,-0.53472,-0.034694,0.84431,265.04,-0.2386,-0.9523,-0.19024,177.58

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,0.94338,-0.098305,0.31681,226.66,-0.32224,-0.044922,0.94559,264.85,-0.078725,-0.99414,-0.074056,177.19

> view matrix models
> #15,0.90352,0.03591,0.42704,226.69,-0.41732,-0.15291,0.8958,264.57,0.097467,-0.98759,-0.12317,177.55

> view matrix models
> #15,0.91096,0.15633,0.38171,227.26,-0.37819,-0.052922,0.92422,264.84,0.16468,-0.98629,0.010911,177.15

> fitmap #15 inMap #11

Fit molecule fold_2025_01_29_18_20_model_0.cif (#15) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1793 atoms  
average map value = 0.06048, steps = 116  
shifted from previous position = 8.18  
rotated from previous position = 11.9 degrees  
atoms outside contour = 1287, contour level = 0.077475  
  
Position of fold_2025_01_29_18_20_model_0.cif (#15) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
0.93267359 0.15422076 0.32609188 228.53265501  
-0.28522964 -0.23810897 0.92841163 260.04387400  
0.22082575 -0.95891609 -0.17808961 183.94379705  
Axis -0.97251302 0.05424213 -0.22644252  
Axis point 0.00000000 187.56985488 -44.55087319  
Rotation angle (degrees) 103.99058755  
Shift along axis -249.79834488  
  

> select subtract #15

Nothing selected  

> select add #15

1793 atoms, 1839 bonds, 230 residues, 1 model selected  

> ui mousemode right ""move picked models""

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,0.81632,-0.21619,0.53561,226.45,-0.56571,-0.11213,0.81694,260.59,-0.11656,-0.96989,-0.21383,183.71

> view matrix models
> #15,0.80302,-0.26555,0.53353,226.28,-0.58084,-0.14834,0.80039,260.51,-0.13339,-0.95262,-0.27336,183.96

> view matrix models
> #15,0.7955,-0.2717,0.54162,226.22,-0.59277,-0.1635,0.7886,260.49,-0.12571,-0.94839,-0.29112,184.04

> ui mousemode right ""translate selected models""

> view matrix models
> #15,0.7955,-0.2717,0.54162,224.55,-0.59277,-0.1635,0.7886,263.07,-0.12571,-0.94839,-0.29112,182.68

> view matrix models
> #15,0.7955,-0.2717,0.54162,224.59,-0.59277,-0.1635,0.7886,263.08,-0.12571,-0.94839,-0.29112,182.69

> ui mousemode right ""rotate selected models""

> view matrix models
> #15,0.80383,-0.15607,0.57402,224.87,-0.59235,-0.1215,0.79647,263.19,-0.054563,-0.98024,-0.19012,182.3

> view matrix models
> #15,0.85947,0.27381,0.43168,226.87,-0.21121,-0.57881,0.78764,262.05,0.46552,-0.76812,-0.43964,184.37

> view matrix models
> #15,0.90355,0.22089,0.36716,226.95,-0.2911,-0.31231,0.90428,262.46,0.31441,-0.92394,-0.21789,182.94

> view matrix models
> #15,0.78267,-0.019487,0.62213,225.15,-0.55687,-0.46844,0.6859,262.45,0.27807,-0.88328,-0.37749,183.59

> view matrix models
> #15,-0.54704,-0.19359,-0.81442,228.3,0.47766,0.72678,-0.4936,271.54,0.68746,-0.65903,-0.3051,184.48

> view matrix models
> #15,0.89968,0.36599,0.23798,227.89,-0.06331,-0.42999,0.90061,262.3,0.43194,-0.82532,-0.36368,183.89

> view matrix models
> #15,0.97698,0.10104,0.18788,227.24,-0.14668,-0.32132,0.93554,262.46,0.15489,-0.94157,-0.2991,183.01

> fitmap #15 inMap #11

Fit molecule fold_2025_01_29_18_20_model_0.cif (#15) to map
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) using 1793 atoms  
average map value = 0.06049, steps = 88  
shifted from previous position = 3.24  
rotated from previous position = 10.7 degrees  
atoms outside contour = 1291, contour level = 0.077475  
  
Position of fold_2025_01_29_18_20_model_0.cif (#15) relative to
cryosparc_P15_J63_004_volume_map_sharp.mrc (#11) coordinates:  
Matrix rotation and translation  
0.93249651 0.15444642 0.32649127 228.54348459  
-0.28559747 -0.23805715 0.92831184 260.05221918  
0.22109802 -0.95889263 -0.17787795 183.93467594  
Axis -0.97243873 0.05430704 -0.22674581  
Axis point 0.00000000 187.55186662 -44.61832992  
Rotation angle (degrees) 103.98803682  
Shift along axis -249.82828772  
  

> select subtract #15

Nothing selected  

> select add #15

1793 atoms, 1839 bonds, 230 residues, 1 model selected  

> view matrix models
> #15,0.98301,0.054479,0.17527,228.78,-0.17097,-0.075544,0.98238,260.52,0.066759,-0.99565,-0.064946,183.27

> ui mousemode right ""translate selected models""

> view matrix models
> #15,0.98301,0.054479,0.17527,228.51,-0.17097,-0.075544,0.98238,261.59,0.066759,-0.99565,-0.064946,180.15

> view matrix models
> #15,0.98301,0.054479,0.17527,228.89,-0.17097,-0.075544,0.98238,262.69,0.066759,-0.99565,-0.064946,179.7

> view matrix models
> #15,0.98301,0.054479,0.17527,228.75,-0.17097,-0.075544,0.98238,262.56,0.066759,-0.99565,-0.064946,179.94

> view matrix models
> #15,0.98301,0.054479,0.17527,228.47,-0.17097,-0.075544,0.98238,262.56,0.066759,-0.99565,-0.064946,179.5

> view matrix models
> #15,0.98301,0.054479,0.17527,228.64,-0.17097,-0.075544,0.98238,262.42,0.066759,-0.99565,-0.064946,178.45

> view matrix models
> #15,0.98301,0.054479,0.17527,228.38,-0.17097,-0.075544,0.98238,262.61,0.066759,-0.99565,-0.064946,178.52

> select subtract #15

Nothing selected  

> show #!10 models

> hide #!10 models

> show #!8 models

> hide #!8 models

> show #!6 models

> hide #15 models

> show #15 models

> hide #!6 models

> show #!3 models

> hide #15 models

> hide #12 models

> hide #!11 models

> volume #3 level 0.2867

> volume #3 level 0.2604

> open /Users/hmed/Downloads/cryosparc_P13_J16_class_00_00082_volume_sharp.mrc

Opened cryosparc_P13_J16_class_00_00082_volume_sharp.mrc as #17, grid size
128,128,128, pixel 3.11, shown at level 0.238, step 1, values float32  

> volume #17 level 0.6269

> volume #17 level 0.3066

> volume #17 level 0.421

> open /Users/hmed/Downloads/cryosparc_P13_J13_class_00_final_volume.mrc

Opened cryosparc_P13_J13_class_00_final_volume.mrc as #18, grid size
120,120,120, pixel 3.32, shown at level 0.163, step 1, values float32  

> volume #18 level 0.3146

> volume #18 level 0.3566

> open /Users/hmed/Downloads/cryosparc_P17_J32_002_volume_map_sharp.mrc

Opened cryosparc_P17_J32_002_volume_map_sharp.mrc as #19, grid size
140,140,140, pixel 3.32, shown at level 0.192, step 1, values float32  

> volume #19 level 0.4153

> volume #19 level 0.5644

> volume #19 level 0.4898

> volume #19 level 0.5005

> volume #19 level 0.6177

> volume #19 level 0.7242

> volume #19 level 0.6709

> open /Users/hmed/Downloads/cryosparc_P12_J50_002_volume_map_sharp.mrc

Opened cryosparc_P12_J50_002_volume_map_sharp.mrc as #20, grid size
120,120,120, pixel 3.32, shown at level 0.313, step 1, values float32  

> volume #20 level 0.8616

> lighting soft

> close #19

> close #18

> close #17

> volume #16 step 1

> volume #16 level 0.0438

> volume #16 level 0.0807

> volume #16 level 0.09198


===== Log before crash end =====

Log:
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  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M2 Pro
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 Pro
      Model Identifier: Mac14,9
      Model Number: MPHF3B/A
      Chip: Apple M2 Pro
      Total Number of Cores: 12 (8 performance and 4 efficiency)
      Memory: 16 GB
      System Firmware Version: 10151.121.1
      OS Loader Version: 8422.141.2.700.1

Software:

    System Software Overview:

      System Version: macOS 13.6.7 (22G720)
      Kernel Version: Darwin 22.6.0
      Time since boot: 1 hour, 17 minutes

Graphics/Displays:

    Apple M2 Pro:

      Chipset Model: Apple M2 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 19
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Color LCD:
          Display Type: Built-in Liquid Retina XDR Display
          Resolution: 3024 x 1964 Retina
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Automatically Adjust Brightness: Yes
          Connection Type: Internal
        DELL U2717D:
          Resolution: 2560 x 1440 (QHD/WQHD - Wide Quad High Definition)
          UI Looks like: 2560 x 1440 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: Supported


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
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
