﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
17696	Crash on Mac waking from sleep	chimerax-bug-report@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-14.4.1-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 0x00000001fc52fac0 (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.map._map, openmm._openmm, openmm.app.internal.compiled, 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.pdb_lib._load_libs, chimerax.surface._surface, chimerax.core._mac_util, OpenGL_accelerate.numpy_formathandler, OpenGL_accelerate.nones_formathandler, lz4._version, lz4.frame._frame, msgpack._cmsgpack, chimerax.core._serialize, PyQt6.QtOpenGL, PyQt6.QtOpenGLWidgets, chimerax.atomic._ribbons, chimerax.graphics._graphics, chimerax.mmcif._mmcif, chimerax.mmcif.mmcif, chimerax.pdb._pdbio, lxml._elementpath, lxml.etree, chimerax.atom_search.ast, chimerax.chem_group._chem_group, PIL._imagingmath, cython.cimports.libc.math, scipy._lib._ccallback_c, scipy.linalg._fblas, scipy.linalg._flapack, scipy.linalg.cython_lapack, scipy.linalg._cythonized_array_utils, scipy.linalg._solve_toeplitz, scipy.linalg._decomp_lu_cython, scipy.linalg._matfuncs_sqrtm_triu, scipy.linalg.cython_blas, scipy.linalg._matfuncs_expm, scipy.linalg._decomp_update, scipy.sparse._sparsetools, _csparsetools, scipy.sparse._csparsetools, scipy.sparse.linalg._dsolve._superlu, scipy.sparse.linalg._eigen.arpack._arpack, scipy.sparse.linalg._propack._spropack, scipy.sparse.linalg._propack._dpropack, scipy.sparse.linalg._propack._cpropack, scipy.sparse.linalg._propack._zpropack, scipy.sparse.csgraph._tools, scipy.sparse.csgraph._shortest_path, scipy.sparse.csgraph._traversal, scipy.sparse.csgraph._min_spanning_tree, scipy.sparse.csgraph._flow, scipy.sparse.csgraph._matching, scipy.sparse.csgraph._reordering, scipy.optimize._group_columns, scipy._lib.messagestream, scipy.optimize._trlib._trlib, scipy.optimize._lbfgsb, _moduleTNC, scipy.optimize._moduleTNC, scipy.optimize._cobyla, scipy.optimize._slsqp, scipy.optimize._minpack, scipy.optimize._lsq.givens_elimination, scipy.optimize._zeros, scipy.optimize._highs.cython.src._highs_wrapper, scipy.optimize._highs._highs_wrapper, scipy.optimize._highs.cython.src._highs_constants, scipy.optimize._highs._highs_constants, scipy.linalg._interpolative, scipy.optimize._bglu_dense, scipy.optimize._lsap, scipy.spatial._ckdtree, scipy.spatial._qhull, scipy.spatial._voronoi, scipy.spatial._distance_wrap, scipy.spatial._hausdorff, scipy.special._ufuncs_cxx, scipy.special._ufuncs, scipy.special._specfun, scipy.special._comb, scipy.special._ellip_harm_2, scipy.spatial.transform._rotation, scipy.optimize._direct, PIL._webp (total: 121)


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  ""vmSummary"" : ""ReadOnly portion of Libraries: Total=1.7G resident=0K(0%) swapped_out_or_unallocated=1.7G(100%)\nWritable regions: Total=33.3G written=0K(0%) resident=0K(0%) swapped_out=0K(0%) unallocated=33.3G(100%)\n\n                                VIRTUAL   REGION \nREGION TYPE                        SIZE    COUNT (non-coalesced) \n===========                     =======  ======= \nAccelerate framework               384K        3 \nActivity Tracing                   256K        1 \nCG image                          1568K       66 \nColorSync                          656K       31 \nCoreAnimation                     3280K      197 \nCoreGraphics                        48K        3 \nCoreImage                           16K        1 \nCoreServices                       624K        2 \nCoreUI image data                 5872K       83 \nFoundation                          48K        2 \nKernel Alloc Once                   32K        1 \nMALLOC                            32.1G      250 \nMALLOC guard page                  192K       12 \nMALLOC_LARGE (reserved)           35.4M        1         reserved VM address space (unallocated)\nMach message                        64K        2 \nOpenGL GLSL                        384K        4 \nSTACK GUARD                       56.8M       48 \nStack                            205.1M       48 \nVM_ALLOCATE                      461.3M      332 \nVM_ALLOCATE (reserved)           512.0M        4         reserved VM address space (unallocated)\n__AUTH                            3356K      569 \n__AUTH_CONST                      40.8M      824 \n__CTF                               824        1 \n__DATA                            29.2M     1078 \n__DATA_CONST                      53.5M     1083 \n__DATA_DIRTY                      2899K      323 \n__FONT_DATA                        2352        1 \n__GLSLBUILTINS                    5174K        1 \n__INFO_FILTER                         8        1 \n__LINKEDIT                       568.6M      254 \n__OBJC_RO                         71.7M        1 \n__OBJC_RW                         2195K        1 \n__TEXT                             1.1G     1102 \ndyld private memory                592K        6 \nmapped file                      633.2M      110 \nshared memory                     3184K       26 \n===========                     =======  ======= \nTOTAL                             35.9G     6472 \nTOTAL, minus reserved VM space    35.3G     6472 \n"",
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  ""trialInfo"" : {
  ""rollouts"" : [
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      ""factorPackIds"" : {

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}
===== Log before crash start =====
UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open ""/Users/admin/Desktop/FGH-allS DNA.cxs""

Log from Wed May 14 14:35:55 2025UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

> open ""/Users/admin/Desktop/FGH-allS DNA.cxs""

Log from Wed May 14 13:57:59 2025UCSF ChimeraX version: 1.9 (2024-12-11)  
© 2016-2024 Regents of the University of California. All rights reserved.  

[deleted to fit within ticket limits]


> hbonds sel showDist true restrict cross select true reveal true log true
    
    
    Finding intermodel H-bonds
    Finding intramodel H-bonds
    Constraints relaxed by 0.4 angstroms and 20 degrees
    Models used:
    	1 2_All-S_DNA_ir-F.pdb
    
    66 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    /A LYS 428 NZ   /D GLU 68 OE2   /A LYS 428 3HZ   3.542  2.919
    /D ASN 12 ND2   /K DT 14 OP1    /D ASN 12 2HD2   3.351  2.512
    /D LYS 24 NZ    /K DC 12 O2     /D LYS 24 1HZ    2.578  1.977
    /D LYS 24 NZ    /K DC 12 OP2    /D LYS 24 3HZ    2.831  2.079
    /D ARG 87 NH2   /B GLU 435 O    /D ARG 87 1HH2   3.528  2.879
    /D TYR 346 OH   /K DG 13 OP1    /D TYR 346 HH    3.427  2.705
    /D GLN 373 NE2  /E ASP 823 OD1  /D GLN 373 1HE2  3.310  2.483
    /D GLN 373 NE2  /E ASP 823 OD2  /D GLN 373 1HE2  3.125  2.459
    /D ARG 420 NE   /E ASP 827 OD2  /D ARG 420 HE    3.242  2.483
    /E ARG 230 NH1  /D SER 221 OG   /E ARG 230 1HH1  3.066  2.357
    /J DG 11 N1     /K DC 30 N3     /J DG 11 H1      2.872  2.075
    /J DG 11 N2     /K DC 30 N3     /J DG 11 H21     3.565  2.917
    /J DG 11 N2     /K DC 30 O2     /J DG 11 H21     2.647  1.840
    /J DG 12 N1     /K DC 29 N3     /J DG 12 H1      2.866  2.019
    /J DG 12 N2     /K DC 29 N3     /J DG 12 H21     3.618  2.961
    /J DG 12 N2     /K DC 29 O2     /J DG 12 H21     2.764  1.927
    /J DT 13 N3     /K DA 27 N1     /J DT 13 H3      2.922  2.262
    /J DC 15 N4     /K DG 26 O6     /J DC 15 H41     2.871  2.054
    /J DT 16 N3     /K DA 25 N1     /J DT 16 H3      2.743  2.012
    /J DC 17 N4     /K DG 24 O6     /J DC 17 H41     2.883  2.046
    /J DC 18 N4     /K DG 23 O6     /J DC 18 H41     2.912  2.055
    /J DC 19 N4     /K DG 22 O6     /J DC 19 H41     2.913  2.068
    /J DA 20 N6     /K DT 21 O4     /J DA 20 H61     2.931  2.082
    /J DG 21 N1     /K DC 20 N3     /J DG 21 H1      2.900  2.056
    /J DG 21 N2     /K DC 20 N3     /J DG 21 H21     3.636  2.980
    /J DG 21 N2     /K DC 20 O2     /J DG 21 H21     2.807  1.988
    /J DT 22 N3     /K DA 19 N1     /J DT 22 H3      2.802  1.952
    /J DC 23 N4     /K DG 18 O6     /J DC 23 H41     2.902  2.043
    /J DA 24 N6     /K DT 17 O4     /J DA 24 H61     2.883  2.080
    /J DC 25 N4     /K DG 16 O6     /J DC 25 H42     2.906  2.051
    /J DG 26 N1     /K DC 15 N3     /J DG 26 H1      2.912  2.079
    /J DG 26 N2     /K DC 15 N3     /J DG 26 H21     3.655  3.001
    /J DG 26 N2     /K DC 15 O2     /J DG 26 H21     2.829  2.003
    /J DA 27 N6     /K DT 14 O4     /J DA 27 H61     3.420  2.797
    /J DG 29 N1     /K DG 13 N7     /J DG 29 H1      3.247  2.523
    /J DT 30 N3     /K DA 11 N1     /J DT 30 H3      3.126  2.507
    /K DC 9 N4      /J DA 34 N6     /K DC 9 H41      3.080  2.473
    /K DA 10 N6     /J DT 31 O4     /K DA 10 H62     3.679  3.012
    /K DA 11 N6     /J DT 30 O4     /K DA 11 H61     3.027  2.305
    /K DC 15 N4     /J DG 26 O6     /K DC 15 H41     2.898  2.040
    /K DG 16 N1     /J DC 25 N3     /K DG 16 H1      2.871  2.086
    /K DG 16 N2     /J DC 25 N3     /K DG 16 H21     3.611  2.979
    /K DG 16 N2     /J DC 25 O2     /K DG 16 H21     2.742  1.921
    /K DT 17 N3     /J DA 24 N1     /K DT 17 H3      2.832  2.216
    /K DG 18 N1     /J DC 23 N3     /K DG 18 H1      2.860  2.001
    /K DG 18 N2     /J DC 23 N3     /K DG 18 H21     3.586  2.925
    /K DG 18 N2     /J DC 23 O2     /K DG 18 H21     2.741  1.892
    /K DA 19 N6     /J DT 22 O4     /K DA 19 H61     2.923  2.067
    /K DC 20 N4     /J DG 21 O6     /K DC 20 H41     2.908  2.051
    /K DT 21 N3     /J DA 20 N1     /K DT 21 H3      2.892  2.032
    /K DG 22 N1     /J DC 19 N3     /K DG 22 H1      2.892  2.051
    /K DG 22 N2     /J DC 19 N3     /K DG 22 H21     3.632  2.981
    /K DG 22 N2     /J DC 19 O2     /K DG 22 H21     2.769  1.927
    /K DG 23 N1     /J DC 18 N3     /K DG 23 H1      2.876  2.027
    /K DG 23 N2     /J DC 18 N3     /K DG 23 H21     3.618  2.963
    /K DG 23 N2     /J DC 18 O2     /K DG 23 H21     2.745  1.894
    /K DG 24 N1     /J DC 17 N3     /K DG 24 H1      2.884  2.045
    /K DG 24 N2     /J DC 17 N3     /K DG 24 H21     3.630  2.981
    /K DG 24 N2     /J DC 17 O2     /K DG 24 H21     2.792  1.940
    /K DA 25 N6     /J DT 16 O4     /K DA 25 H61     3.017  2.373
    /K DG 26 N1     /J DC 15 N3     /K DG 26 H1      2.895  2.273
    /K DG 26 N2     /J DC 15 N3     /K DG 26 H21     3.677  3.125
    /K DG 26 N2     /J DC 15 O2     /K DG 26 H21     2.815  2.156
    /K DA 27 N6     /J DT 13 O4     /K DA 27 H61     2.869  2.246
    /K DC 29 N4     /J DG 12 O6     /K DC 29 H41     2.885  2.033
    /K DC 30 N4     /J DG 11 O6     /K DC 30 H41     2.992  2.235
    

  
66 hydrogen bonds found  

> select ((/J & ::polymer_type>0 ) & ((/D & ::polymer_type>0 ) :<3.5)) | ((/D & ::polymer_type>0 ) & ((/J & ::polymer_type>0 ) :<3.5))

344 atoms, 353 bonds, 13 residues, 1 model selected  

> select ((/J & ::polymer_type>0 ) & ((/D & ::polymer_type>0 ) :<3.5)) | ((/D & ::polymer_type>0 ) & ((/J & ::polymer_type>0 ) :<3.5))

344 atoms, 353 bonds, 13 residues, 1 model selected  

> help help:user/selectcontacts.html

> contacts sel select true makePseudobonds false

405 contacts  

> ui tool show Contacts

> select clear

> hide atoms

> ui tool show H-Bonds

> size pseudobondRadius +0.5

Changed 66 pseudobond radii  

> show atoms

> size pseudobondRadius -0.5

Changed 66 pseudobond radii  

> size pseudobondRadius -0.1

Cannot reduce pseudobond radius to <= 0  

> size pseudobondRadius -0.1

Cannot reduce pseudobond radius to <= 0  

> size pseudobondRadius -0.1

Cannot reduce pseudobond radius to <= 0  

> size pseudobondRadius \- 0.1

Invalid ""pseudobondRadius"" argument: Expected a number >= 0 or a +/- delta  

> size pseudobondRadius /- 0.1

Invalid ""pseudobondRadius"" argument: Expected a number >= 0 or a +/- delta  

> size pseudobondRadius -0.1

Cannot reduce pseudobond radius to <= 0  

> size pseudobondRadius -

Invalid ""pseudobondRadius"" argument: Expected a number >= 0 or a +/- delta  

> size pseudobondRadius -1

Cannot reduce pseudobond radius to <= 0  

> size pseudobondRadius \- 0.5

Invalid ""pseudobondRadius"" argument: Expected a number >= 0 or a +/- delta  

> size pseudobondRadius \- .5

Invalid ""pseudobondRadius"" argument: Expected a number >= 0 or a +/- delta  

> hide atoms

> size pseudobondRadius .5

Changed 66 pseudobond radii  

> show atoms

> size pseudobondRadius .1

Changed 66 pseudobond radii  

> size pseudobondRadius 0.3

Changed 66 pseudobond radii  

> size pseudobondRadius 0.2

Changed 66 pseudobond radii  

> hbonds /J /D saltOnly=false, restrict=cross, select=true, reveal=true,
> showDist=true, color=green, radius=0.1, dashes=5, name=j_d_hbonds

Expected a keyword  

> ui tool show Shell

> hbonds #J to #D color green distance true radius 0.1 dashes 5 name
> j_d_hbonds

Expected a keyword  

> hide atoms

> hbonds /j restrict /d

6 hydrogen bonds found  

> hbonds /j restrict /d reveal true

6 hydrogen bonds found  

> `open help:user/tutorials/binding-sites.html`

Unknown command: `open help:user/tutorials/binding-sites.html`  

> open help:user/tutorials/binding-sites.html

Opened help:user/tutorials/binding-sites.html  

> label @@display

> hbonds /j restrict /e reveal true

0 hydrogen bonds found  

> hbonds /j restrict /d/e reveal true

6 hydrogen bonds found  

> hbonds /j/k restrict /d/e reveal true

11 hydrogen bonds found  

> abel @@display

Unknown command: abel @@display  

> abel @@display

Unknown command: abel @@display  

> label @@display

> size pseudobondRadius 0.2

Changed 11 pseudobond radii  

> hbonds /j/k restrict /d/e reveal true name 1

11 hydrogen bonds found  

> select 1

Expected an objects specifier or a keyword  

> label height 1.0

> select add #1

65734 atoms, 66619 bonds, 22 pseudobonds, 4000 residues, 4 models selected  

> color (#!1 & sel) byhetero

> select clear

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

——— End of log from Wed May 14 10:48:39 2025 ———

opened ChimeraX session  

> label height 2.0

> color label

Expected a color or one of 'byatom', 'bychain', 'byelement', 'byhetero',
'byidentity', 'bymodel', 'bynucleotide', 'bypolymer', 'fromatoms',
'fromcartoons', 'fromribbons', or 'random' or a keyword  

> label color red

> label color yellow

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

> select /K:24@O4'

1 atom, 1 residue, 1 model selected  

> label delete

> select /D:344@CZ

1 atom, 1 residue, 1 model selected  

> select clear

> select add /D:360

17 atoms, 17 bonds, 1 residue, 1 model selected  

> select add /E:302@CZ

18 atoms, 17 bonds, 2 residues, 1 model selected  

> label sel

> label delete

> lighting soft

> lighting simple

> lighting soft

> set bgColor white

> lighting full

> lighting soft

> set bgColor black

> lighting shadows true intensity 0.5

> graphics silhouettes true

> lighting flat

> lighting full

> lighting soft

> label @ca

> label delete

> select clear

> view hbood

Expected an objects specifier or a view name or a keyword  

> view /j/k

> lighting full

> set bgColor white

> lighting full

> lighting shadows false

> graphics silhouettes false

> graphics silhouettes true

> select /D:336@CG

1 atom, 1 residue, 1 model selected  

> select /D:9@CD

1 atom, 1 residue, 1 model selected  

> select clear

> select /E:299

10 atoms, 9 bonds, 1 residue, 1 model selected  

> select add /D:98

17 atoms, 19 bonds, 1 residue, 1 model selected  

> select /D:9,12

36 atoms, 34 bonds, 2 residues, 1 model selected  

> select /D:9,12,264,267,336,344,364

145 atoms, 138 bonds, 7 residues, 1 model selected  

> select /D:9,12,264,267,336,344,346

142 atoms, 136 bonds, 7 residues, 1 model selected  

> select /D:9,12,24,267,336,344,346,302

167 atoms, 161 bonds, 8 residues, 1 model selected  

> select /D:9,12,24,267,336,344,346, /E:302

Expected an objects specifier or a keyword  

> select /D:9,12,24,267,336,344,346 /E:302

171 atoms, 164 bonds, 8 residues, 1 model selected  

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

> abel @@display

Unknown command: abel @@display  

> label @@display

> label @display

> label delete

> label @display

[Repeated 1 time(s)]

> label sel

> label height 1.0

> label color yellow

> label height 2.0

> label height 1.5

> label color black

> select ~sel & ##selected

65563 atoms, 66455 bonds, 22 pseudobonds, 3992 residues, 3 models selected  

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

> select clear

> label height 2.0

> label color yellow

> select clear

> set bgColor black

> select /i/h

Nothing selected  

> select /l/m

1051 atoms, 1133 bonds, 33 residues, 1 model selected  

> hbonds /l/m restrict /c/f reveal true

0 hydrogen bonds found  

> select ~sel & ##selected

64683 atoms, 65486 bonds, 11 pseudobonds, 3967 residues, 2 models selected  

> select ~sel & ##selected

1051 atoms, 1133 bonds, 33 residues, 1 model selected  

> select ~sel & ##selected

64683 atoms, 65486 bonds, 11 pseudobonds, 3967 residues, 2 models selected  

> select clear

> hbonds /l/m restrict /G/f reveal true

4 hydrogen bonds found  

> select clear

> size pseudobondRadius 1.5

Changed 15 pseudobond radii  

> size pseudobondRadius .5

Changed 15 pseudobond radii  

> size pseudobondRadius .2

Changed 15 pseudobond radii  

> select /G:339,12,24

60 atoms, 57 bonds, 3 residues, 1 model selected  

> label sel

> label sel color yellow height 2.0

> label sel color yellow height 1.5

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

> select clear

> view list

Named views: 1  

> view 1

> view /j/k

> view name 1

> view /m/l

> view name 2

> view

> view name 3

> view list

Named views: 1, 2, 3  

> view 3

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

——— End of log from Wed May 14 13:57:59 2025 ———

opened ChimeraX session  

> changechains sel

Missing or invalid ""fromIds"" argument: Expected a text string  

> changechains /E

Missing or invalid ""fromIds"" argument: Expected a text string  

> open 6oej

6oej title:  
Crystal structure of the non-neutralizing and ADCC-potent antibody C11 In
complex with hiv-1 clade A/E GP120 [more info...]  
  
Chain information for 6oej #2  
---  
Chain | Description | UniProt  
A G | clade A/E 93TH057 HIV-1 gp120 core | A0A0M3KKW9_9HIV1 44-492  
B H | C11 Fab heavy chain |   
C L | C11 Fab light chain |   
  
Non-standard residues in 6oej #2  
---  
BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)  
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)  
  
6oej mmCIF Assemblies  
---  
1| author_and_software_defined_assembly  
2| author_and_software_defined_assembly  
  

> changechains glycosylations

Chain IDs of 8 residues changed  

> info

6 models  
#1, 2_All-S_DNA_ir-F.pdb, shown  
65734 atoms, 66619 bonds, 4000 residues, 10 chains (E,A,J,K,B,F,D,G,L,M)  
11 1, 4 hydrogen bonds  
#1.1, hydrogen bonds, shown, 4 pseudobonds  
#1.2, labels, shown, 22 triangles  
#1.3, 1, shown, 11 pseudobonds  
#2, 6oej, shown  
12140 atoms, 12455 bonds, 1556 residues, 6 chains (G,H,L,A,B,C)  
10 missing structure  
#2.1, missing structure, shown, 10 pseudobonds  

> log metadata #2

Metadata for 6oej #2  
---  
Title | Crystal structure of the non-neutralizing and ADCC-potent antibody C11 In complex with hiv-1 clade A/E GP120  
Citation | Tolbert, W.D., Van, V., Sherburn, R., Tuyishime, M., Yan, F., Nguyen, D.N., Stanfield-Oakley, S., Easterhoff, D., Bonsignori, M., Haynes, B.F., Moody, M.A., Ray, K., Ferrari, G., Lewis, G.K., Pazgier, M. (2020). Recognition Patterns of the C1/C2 Epitopes Involved in Fc-Mediated Response in HIV-1 Natural Infection and the RV114 Vaccine Trial. Mbio, 11. PMID: 32605979. DOI: 10.1128/mBio.00208-20  
Non-standard residues | BMA — beta-D-mannopyranose (beta-D-mannose; D-mannose; mannose)  
FUC — alpha-L-fucopyranose (alpha-L-fucose; 6-deoxy-alpha-L-galactopyranose;
L-fucose; fucose)  
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)  
Gene sources | Human immunodeficiency virus 1  
Homo sapiens  
Experimental method | X-ray diffraction  
Resolution | 3.45Å  
  
> 6oej title

Unknown command: 6oej title  

> Chain information for 6oej #2

Unknown command: Chain information for 6oej #2  

> changechains /G G C

Proposed chainID change conflicts with existing residue 6oej #2/C ASN 31  

> close #2

> changechains /G G C

Chain IDs of 440 residues changed  

> info

4 models  
#1, 2_All-S_DNA_ir-F.pdb, shown  
65734 atoms, 66619 bonds, 4000 residues, 10 chains (E,A,J,K,B,F,D,C,L,M)  
11 1, 4 hydrogen bonds  
#1.1, hydrogen bonds, shown, 4 pseudobonds  
#1.2, labels, shown, 22 triangles  
#1.3, 1, shown, 11 pseudobonds  

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

> ui tool show ""Change Chain IDs""

> changechains L H

Chain IDs of 16 residues changed  

> changechains M I

Chain IDs of 17 residues changed  
Must select one or more chain IDs from the list on the left  

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

——— End of log from Wed May 14 14:35:55 2025 ———

opened ChimeraX session  

> set bgColor white

> save ""/Users/admin/Desktop/FGH-2S DNA.cxs""

> select clear

> show surfaces

> hide #1.1 models

> hide #1.2 models

> lighting simple

> lighting soft

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> lighting shadows false

> lighting flat

> lighting full

> lighting flat

> lighting shadows true intensity 0.5

> graphics silhouettes false

> graphics silhouettes true

> lighting shadows false

> lighting shadows true

> lighting full

> hide #1.10 models

> show #1.10 models

> hide #1.10 models

> show #1.10 models

> hide #1.12 models

> hide #1.13 models

> show atoms

> hide cartoons

> delete h

Missing or invalid ""atoms"" argument: invalid atoms specifier  

> delete atoms h

Expected a keyword  

> show #1.12 models

> show #1.13 models

> show cartoons

> hide #1.10 models

> show #1.10 models

> hide #1.12 models

> hide #1.13 models

> hide atoms

> preset cartoons/nucleotides cylinders/stubs

Using preset: Cartoons/Nucleotides / Cylinders/Stubs  
Changed 0 atom styles  
Preset expands to these ChimeraX commands:

    
    
    show nucleic
    hide protein|solvent|H
    surf hide
    style (protein|nucleic|solvent) & @@draw_mode=0 stick
    ~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
    cartoon style protein modeh tube rad 2 sides 24 thick 0.6
    cartoon style nucleic x round width 1.6 thick 1.6
    nucleotides stubs

  

> show surfaces

> hide #1.12 models

> hide #1.13 models

> color #1.12 #f9697cff

> color #1.12 #f97973ff

> undo

[Repeated 8 time(s)]

> color #1.12 lime

> save ""/Users/admin/Desktop/FGH all S.tif"" width 1344 height 903 supersample
> 3 transparentBackground true

> show #1.1 models

> hide #1.1 models

> show #1.12 models

> show #1.13 models

> color #1.12 #00ff0078

> color #1.13 #00ff007f

> color #1.13 #00ff0080

> color #1.7 #cecaf17c

> color #1.7 #cecaf17d

> color #1.8 #b2d9f77d

> select clear

> hide #1.12 models

> hide #1.13 models

> show #1.12 models

> show #1.13 models

> hide #1.12 models

> hide #1.13 models

> show #1.12 models

> show #1.13 models

> color #1.12 lime

> color #1.13 lime

> color #1.8 #b2d9f7ff

> lighting simple

> lighting soft

> lighting full

> lighting soft

> color #1.7 #cecaf1ff

> save ""/Users/admin/Desktop/FGH all S.tif"" width 1344 height 903 supersample
> 3 transparentBackground true

> save ""/Users/admin/Desktop/FGH all S-1.tif"" width 1344 height 903
> supersample 3 transparentBackground true

> select /h/i

1051 atoms, 1133 bonds, 33 residues, 1 model selected  

> view sel

> view

> view name 4

> save ""/Users/admin/Desktop/FGH all S-2.tif"" width 1344 height 903
> supersample 3 transparentBackground true

> view name 4

> select clear

> save ""/Users/admin/Desktop/FGH all S-2.tif"" width 1344 height 903
> supersample 3 transparentBackground true

> save ""/Users/admin/Desktop/FGH all S-1.tif"" width 1344 height 903
> supersample 3 transparentBackground true

> view name 6

> view name 5

> view list

Named views: 1, 2, 3, 4, 5, 6  

> view 5

> view 6

> save ""/Users/admin/Desktop/FGH all S.tif"" width 1344 height 903 supersample
> 3 transparentBackground true

> save ""/Users/admin/Desktop/FGH-allS DNA.cxs""

——— End of log from Thu May 15 17:19:26 2025 ———

opened ChimeraX session  




OpenGL version: 4.1 Metal - 88
OpenGL renderer: Apple M1 Max
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: Mac Studio
      Model Identifier: Mac13,1
      Model Number: MJMV3LL/A
      Chip: Apple M1 Max
      Total Number of Cores: 10 (8 performance and 2 efficiency)
      Memory: 32 GB
      System Firmware Version: 10151.101.3
      OS Loader Version: 10151.101.3

Software:

    System Software Overview:

      System Version: macOS 14.4.1 (23E224)
      Kernel Version: Darwin 23.4.0
      Time since boot: 3天23小时25分钟

Graphics/Displays:

    Apple M1 Max:

      Chipset Model: Apple M1 Max
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 24
      Vendor: Apple (0x106b)
      Metal Support: Metal 3
      Displays:
        Redmi 238 NFS:
          Resolution: 1920 x 1080 (1080p FHD - Full High Definition)
          UI Looks like: 1920 x 1080 @ 60.00Hz
          Main Display: Yes
          Mirror: Off
          Online: Yes
          Rotation: Supported
        Redmi 238 NFS:
          Resolution: 1080 x 1920
          UI Looks like: 1080 x 1920 @ 60.00Hz
          Mirror: Off
          Online: Yes
          Rotation: 90


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
    autocommand: 2.2.2
    babel: 2.16.0
    backports.tarfile: 1.2.0
    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-Clipper: 0.24.0
    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-ISOLDE: 1.9
    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
    importlib_metadata: 8.0.0
    importlib_resources: 6.4.0
    inflect: 7.3.1
    ipykernel: 6.29.5
    ipython: 8.26.0
    ipywidgets: 8.1.5
    jaraco.context: 5.3.0
    jaraco.functools: 4.0.1
    jaraco.text: 3.12.1
    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
    more-itertools: 10.3.0
    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
    ordered-set: 4.1.0
    packaging: 23.2
    packaging: 24.1
    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
    platformdirs: 4.2.2
    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
    tomli: 2.0.1
    tornado: 6.4.2
    traitlets: 5.14.3
    typeguard: 4.3.0
    typing_extensions: 4.12.2
    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: 0.43.0
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.13
    zipp: 3.19.2
}}}
"	defect	closed	normal		Window Toolkit		duplicate						all	ChimeraX
