﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
9270	300 dpi	wolf6689@…	Tom Goddard	"{{{
The following bug report has been submitted:
Platform:        macOS-10.16-x86_64-i386-64bit
ChimeraX Version: 1.6.1 (2023-05-09 17:57:07 UTC)
Description
Dear ChimeraX team,
I am not able to save images at resolution 300 dpi or higher.  I would greatly appreciate your help to render high-resolution images.

Kind regards,
Martha Guevara


Log:
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  

> open ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/IBD BR VARIANTS/IBDBR - PDB
> analysis CXS/XIAP T470I analysis.cxs""

Log from Tue Jun 27 00:13:41 2023 Startup Messages  
---  
warning | Custom presets folder '/Users/mguevarab/ChimeraX' does not exist  
  
UCSF ChimeraX version: 1.6.1 (2023-05-09)  
© 2016-2023 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open /Users/mguevarab/Downloads/CS-
> ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif

CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif title:  
? [more info...]  
  
Chain information for CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1  
---  
Chain | Description  
A | 1  
  
Non-standard residues in CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1  
---  
15P — polyethylene glycol (N=34)  
1AQ — (3S,7R,8aR)-2-{(2S)-2-(4,4-difluorocyclohexyl)-2-[(N-methyl-L-
alanyl)amino]acetyl}-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide  
NA — sodium ion  
X22 —
(3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide  
X23 —
(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide  
ZN — zinc ion  
  

> select :15P,1AQ,NA,X22,X23

432 atoms, 465 bonds, 15 residues, 1 model selected  

> delete atoms sel

> delete bonds sel

> save ""/Users/mguevarab/OneDrive/University of Oxford/MSc Integrated
> Immunology/Term 3 - Trinity Term/MSc Project/Project protocol/Structure
> predictions/XIAP predictions/IBD BR VARIANTS/IBDBR - Best models
> AlphaFill/XIAP T470I.pdb"" relModel #1

> SELECET :470

Unknown command: SELECET :470  

> select :470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> view sel

> view

> open ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/Normal XIAP PDB files/RING
> dimer 4ic2.pdb""

RING dimer 4ic2.pdb title:  
Crystal structure of the xiap ring domain [more info...]  
  
Chain information for RING dimer 4ic2.pdb #2  
---  
Chain | Description | UniProt  
A B | E3 ubiquitin-protein ligase xiap | XIAP_HUMAN 429-497  
  
Non-standard residues in RING dimer 4ic2.pdb #2  
---  
NI — nickel (II) ion  
ZN — zinc ion  
  

> ui tool show Matchmaker

> matchmaker #!1 to #2

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 RING dimer 4ic2.pdb, chain B (#2) with CS-
ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif, chain A (#1), sequence alignment
score = 337.5  
RMSD between 56 pruned atom pairs is 0.752 angstroms; (across all 64 pairs:
1.822)  
  

> select #1 :470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> color sel red

> view sel

> show sel atoms

> ui mousemode right select

> select #2/B:470

7 atoms, 6 bonds, 1 residue, 1 model selected  

> color sel blue

> show sel atoms

> select #2/B:1001@ZN

1 atom, 1 residue, 1 model selected  

> ui tool show Contacts

> contacts sel interModel false ignoreHiddenModels true select true color
> #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    4 contacts
                   atom1                                atom2                 overlap  distance
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 453 SG   0.012    2.358
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 450 SG   -0.006    2.376
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 471 SG   -0.048    2.418
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 474 SG   -0.076    2.446
    

  
4 contacts  

> color sel purple

> select #2

1054 atoms, 1018 bonds, 21 pseudobonds, 174 residues, 3 models selected  

> hide sel cartoons

> hide (#!2 & sel) target a

> select #2 @Zn

4 atoms, 4 residues, 1 model selected  

> show sel atoms

> select #2/B:1001@ZN

1 atom, 1 residue, 1 model selected  

> ui mousemode right select

> select #2/B:1001@ZN

1 atom, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #0000ff showDist true intraModel false relax false intraMol
> false intraRes false reveal true log true
    
    
    Finding intermodel H-bonds
    Using precise constraint criteria
    Models used:
    	1 CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif
    	2 RING dimer 4ic2.pdb
    
    0 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    

  
0 hydrogen bonds found  

> ui tool show Contacts

> contacts sel intraModel false intraMol false ignoreHiddenModels true select
> true color #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    4 contacts
                   atom1                                              atom2                               overlap  distance
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG   0.210    2.160
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG   0.147    2.223
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG   -0.058    2.428
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG   -0.347    2.717
    

  
4 contacts  

> color sel purple

> ui mousemode right select

> select subtract #2/B:1001@ZN

4 atoms, 4 residues, 1 model selected  

> ui tool show Contacts

> contacts sel interModel false ignoreHiddenModels true select true color
> #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    22 contacts
                                 atom1                                                            atom2                                overlap  distance
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 470 CA    0.224    3.426
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 CB    0.201    3.449
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 CB    0.045    3.605
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ARG 456 NE    0.021    2.989
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 CB    0.004    3.646
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 470 CB    -0.074    3.724
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ASP 455 CB    -0.115    3.765
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 452 CB    -0.147    3.797
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ASP 455 CA    -0.176    3.826
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 N     -0.193    3.203
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ASP 455 N     -0.211    3.221
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ARG 456 CZ    -0.215    3.595
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 CB    -0.237    3.887
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG    -0.263    3.403
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 452 CG2   -0.265    3.915
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ARG 456 N     -0.266    3.276
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 452 CB    -0.291    3.941
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 N     -0.297    3.307
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 452 N     -0.307    3.317
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 452 CA    -0.317    3.967
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ARG 456 NH2   -0.318    3.328
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ARG 456 CB    -0.353    4.003
    

  
22 contacts  

> ui mousemode right select

> select #1/A:470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui tool show H-Bonds

> hbonds sel color #0000ff showDist true interModel false relax false intraRes
> false reveal true log true
    
    
    Finding intramodel H-bonds
    Using precise constraint criteria
    Models used:
    	1 CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif
    
    1 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ALA 459 N  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A ILE 470 O  no hydrogen  3.058  N/A
    

  
1 hydrogen bonds found  

> select #1/A:459

5 atoms, 4 bonds, 1 residue, 1 model selected  

> color sel orange

> select #1/A:470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui mousemode right label

> label #1/A:470

> label #1/A:459

> ui mousemode right ""move label""

> ui tool show ""Model Panel""

> hide #1.4 models

> show #1.4 models

> hide #1.3.1 models

> save ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/IBD BR VARIANTS/IBDBR -
> Figures 3D map/3DMAP_T470I variant contacts.png"" width 1188 height 1080
> supersample 3 transparentBackground true

> hide #!1 models

> select #2

1054 atoms, 1018 bonds, 21 pseudobonds, 174 residues, 3 models selected  

> show sel cartoons

> ui mousemode right select

> select #2/B:470

7 atoms, 6 bonds, 1 residue, 1 model selected  

> show sel atoms

> ui tool show H-Bonds

> hbonds sel color #0000ff showDist true interModel false relax false intraRes
> false reveal true log true
    
    
    Finding intramodel H-bonds
    Using precise constraint criteria
    Models used:
    	2 RING dimer 4ic2.pdb
    
    2 H-bonds
    H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist):
    RING dimer 4ic2.pdb #2/B ALA 459 N  RING dimer 4ic2.pdb #2/B THR 470 O   no hydrogen  2.997  N/A
    RING dimer 4ic2.pdb #2/B THR 470 N  RING dimer 4ic2.pdb #2/B HOH 1102 O  no hydrogen  3.022  N/A
    

  
2 hydrogen bonds found  

> hide #2.3.1 models

> select #2/B:1102@O

1 atom, 1 residue, 1 model selected  

> hide sel atoms

> select #2/B:459

5 atoms, 4 bonds, 1 residue, 1 model selected  

> color sel orange

> ui mousemode right label

> label #2/B:459

> label #2/B:470

> ui mousemode right ""move label""

> ui mousemode right select

> select #2/B:1001@ZN

1 atom, 1 residue, 1 model selected  

> ui tool show Contacts

> contacts sel interModel false ignoreHiddenModels true select true color
> #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    4 contacts
                   atom1                                atom2                 overlap  distance
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 453 SG   0.012    2.358
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 450 SG   -0.006    2.376
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 471 SG   -0.048    2.418
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 474 SG   -0.076    2.446
    

  
4 contacts  

> select add #2

1054 atoms, 1018 bonds, 23 pseudobonds, 174 residues, 6 models selected  

> select subtract #2

Nothing selected  

> ui mousemode right ""move label""

> save ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/IBD BR VARIANTS/IBDBR -
> Figures 3D map/3DMAP_T470I normal contacts.png"" width 1188 height 1080
> supersample 3 transparentBackground true

> hide #!2 models

> show #!1 models

> select #2 @Zn

4 atoms, 4 residues, 1 model selected  

> show #!1 atoms

> hide #!1 atoms

> show #!2 models

> select #2

1054 atoms, 1018 bonds, 23 pseudobonds, 174 residues, 6 models selected  

> hide sel cartoons

> select #2

1054 atoms, 1018 bonds, 23 pseudobonds, 174 residues, 6 models selected  

> hide sel atoms

> select #2 @Zn

4 atoms, 4 residues, 1 model selected  

> show sel atoms

> ui tool show Contacts

> contacts sel restrict cross interModel false ignoreHiddenModels true select
> true color #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: True
    
    16 contacts
                   atom1                                atom2                  overlap  distance
    RING dimer 4ic2.pdb #2/A ZN 1001 ZN  RING dimer 4ic2.pdb #2/A CYS 474 SG    0.112    2.258
    RING dimer 4ic2.pdb #2/B ZN 1002 ZN  RING dimer 4ic2.pdb #2/B HIS 467 ND1   0.112    2.128
    RING dimer 4ic2.pdb #2/A ZN 1002 ZN  RING dimer 4ic2.pdb #2/A CYS 465 SG    0.068    2.302
    RING dimer 4ic2.pdb #2/A ZN 1002 ZN  RING dimer 4ic2.pdb #2/A HIS 467 ND1   0.058    2.182
    RING dimer 4ic2.pdb #2/B ZN 1002 ZN  RING dimer 4ic2.pdb #2/B CYS 481 SG    0.051    2.319
    RING dimer 4ic2.pdb #2/A ZN 1001 ZN  RING dimer 4ic2.pdb #2/A CYS 471 SG    0.043    2.327
    RING dimer 4ic2.pdb #2/A ZN 1002 ZN  RING dimer 4ic2.pdb #2/A CYS 481 SG    0.033    2.337
    RING dimer 4ic2.pdb #2/B ZN 1002 ZN  RING dimer 4ic2.pdb #2/B CYS 484 SG    0.024    2.346
    RING dimer 4ic2.pdb #2/A ZN 1001 ZN  RING dimer 4ic2.pdb #2/A CYS 453 SG    0.017    2.353
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 453 SG    0.012    2.358
    RING dimer 4ic2.pdb #2/B ZN 1002 ZN  RING dimer 4ic2.pdb #2/B CYS 465 SG    0.009    2.361
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 450 SG    -0.006    2.376
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 471 SG    -0.048    2.418
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  RING dimer 4ic2.pdb #2/B CYS 474 SG    -0.076    2.446
    RING dimer 4ic2.pdb #2/A ZN 1001 ZN  RING dimer 4ic2.pdb #2/A CYS 450 SG    -0.096    2.466
    RING dimer 4ic2.pdb #2/A ZN 1002 ZN  RING dimer 4ic2.pdb #2/A CYS 484 SG    -0.112    2.482
    

  
16 contacts  

> undo

> select #2 @Zn

4 atoms, 4 residues, 1 model selected  

> select #2

1054 atoms, 1018 bonds, 35 pseudobonds, 174 residues, 6 models selected  

> hide sel atoms

> select #2 @Zn

4 atoms, 4 residues, 1 model selected  

> show sel atoms

> ui mousemode right select

> select #1/A:470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> show sel atoms

> select #2/B:1001@ZN

1 atom, 1 residue, 1 model selected  

> ui tool show Contacts

> contacts sel restrict cross intraModel false intraMol false
> ignoreHiddenModels true select true color #8f43c5 reveal true log true
    
    
    Allowed overlap: -0.4
    H-bond overlap reduction: 0.4
    Ignore contacts between atoms separated by 4 bonds or less
    Detect intra-residue contacts: False
    Detect intra-molecule contacts: False
    
    4 contacts
                   atom1                                              atom2                               overlap  distance
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 474 SG   0.210    2.160
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 471 SG   0.147    2.223
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 453 SG   -0.058    2.428
    RING dimer 4ic2.pdb #2/B ZN 1001 ZN  CS-ed148bdba8fe24f6c0a26ca1beb261961d35a5c2.cif #1/A CYS 450 SG   -0.347    2.717
    

  
4 contacts  

> ui mousemode right ""move label""

> color sel purple

> ui mousemode right label

> label #1/A:450

> ui mousemode right select

> select #1/A:470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> select #1/A:470

8 atoms, 7 bonds, 1 residue, 1 model selected  

> ui mousemode right ""move label""

> save ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/IBD BR VARIANTS/IBDBR -
> Figures 3D map/3DMAP_T470I variant contacts 2.png"" width 1188 height 1080
> supersample 3 transparentBackground true

> save ""/Users/mguevarab/Library/CloudStorage/OneDrive-Personal/University of
> Oxford/MSc Integrated Immunology/Term 3 - Trinity Term/MSc Project/Project
> protocol/Structure predictions/XIAP predictions/IBD BR VARIANTS/IBDBR - PDB
> analysis CXS/XIAP T470I analysis.cxs""

——— End of log from Tue Jun 27 00:13:41 2023 ———

opened ChimeraX session  

> save ""/Users/mguevarab/Desktop/XIAP 470I.jpg"" width 936 height 683
> supersample 4

> save ""/Users/mguevarab/Desktop/POSTER/XIAP T470I variant.png"" width 2741
> height 2000 supersample 4 transparentBackground true

> save /Users/mguevarab/Desktop/image1.png supersample 3

No map chosen to save  

> save /Users/mguevarab/Desktop/POSTER/test.bmp width 6852 height 5000
> supersample 4

> save /Users/mguevarab/Desktop/POSTER/test.gif width 1480 height 1080
> supersample 4

> save /Users/mguevarab/Desktop/POSTER/test.png 300dpi

Expected a keyword  

> save /Users/mguevarab/Desktop/POSTER/test.png resolution 300dpi
> transparentBackground true

Expected a keyword  

> save /Users/mguevarab/Desktop/POSTER/test.png res 300 transparentBackground
> true

Expected a keyword  

> save /Users/mguevarab/Desktop/POSTER/test.png res 300

Expected a keyword  

> help help:user

No help found for 'help:user resolution'  
No help found for 'help:user save'  




OpenGL version: 4.1 Metal - 83.1
OpenGL renderer: Apple M1 Pro
OpenGL vendor: Apple

Python: 3.9.11
Locale: UTF-8
Qt version: PyQt6 6.4.2, Qt 6.4.2
Qt runtime version: 6.4.3
Qt platform: cocoa
Hardware:

    Hardware Overview:

      Model Name: MacBook Pro
      Model Identifier: MacBookPro18,3
      Model Number: MKGP3LL/A
      Chip: Unknown
      Total Number of Cores: 8 (6 performance and 2 efficiency)
      Memory: 16 GB
      System Firmware Version: 8422.121.1
      OS Loader Version: 8422.121.1

Software:

    System Software Overview:

      System Version: macOS 13.4.1 (22F82)
      Kernel Version: Darwin 22.5.0
      Time since boot: 5 days, 14 hours, 56 minutes

Graphics/Displays:

    Apple M1 Pro:

      Chipset Model: Apple M1 Pro
      Type: GPU
      Bus: Built-In
      Total Number of Cores: 14
      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: No
          Connection Type: Internal


Installed Packages:
    alabaster: 0.7.13
    appdirs: 1.4.4
    appnope: 0.1.3
    asttokens: 2.2.1
    Babel: 2.12.1
    backcall: 0.2.0
    beautifulsoup4: 4.11.2
    blockdiag: 3.0.0
    build: 0.10.0
    certifi: 2021.10.8
    cftime: 1.6.2
    charset-normalizer: 3.1.0
    ChimeraX-AddCharge: 1.5.9.1
    ChimeraX-AddH: 2.2.5
    ChimeraX-AlignmentAlgorithms: 2.0.1
    ChimeraX-AlignmentHdrs: 3.3.1
    ChimeraX-AlignmentMatrices: 2.1
    ChimeraX-Alignments: 2.9.3
    ChimeraX-AlphaFold: 1.0
    ChimeraX-AltlocExplorer: 1.0.3
    ChimeraX-AmberInfo: 1.0
    ChimeraX-Arrays: 1.1
    ChimeraX-Atomic: 1.43.10
    ChimeraX-AtomicLibrary: 10.0.6
    ChimeraX-AtomSearch: 2.0.1
    ChimeraX-AxesPlanes: 2.3.2
    ChimeraX-BasicActions: 1.1.2
    ChimeraX-BILD: 1.0
    ChimeraX-BlastProtein: 2.1.2
    ChimeraX-BondRot: 2.0.1
    ChimeraX-BugReporter: 1.0.1
    ChimeraX-BuildStructure: 2.8
    ChimeraX-Bumps: 1.0
    ChimeraX-BundleBuilder: 1.2.2
    ChimeraX-ButtonPanel: 1.0.1
    ChimeraX-CageBuilder: 1.0.1
    ChimeraX-CellPack: 1.0
    ChimeraX-Centroids: 1.3.2
    ChimeraX-ChangeChains: 1.0.2
    ChimeraX-CheckWaters: 1.3.1
    ChimeraX-ChemGroup: 2.0.1
    ChimeraX-Clashes: 2.2.4
    ChimeraX-ColorActions: 1.0.3
    ChimeraX-ColorGlobe: 1.0
    ChimeraX-ColorKey: 1.5.3
    ChimeraX-CommandLine: 1.2.5
    ChimeraX-ConnectStructure: 2.0.1
    ChimeraX-Contacts: 1.0.1
    ChimeraX-Core: 1.6.1
    ChimeraX-CoreFormats: 1.1
    ChimeraX-coulombic: 1.4.2
    ChimeraX-Crosslinks: 1.0
    ChimeraX-Crystal: 1.0
    ChimeraX-CrystalContacts: 1.0.1
    ChimeraX-Cytoscape: 0.1
    ChimeraX-DataFormats: 1.2.3
    ChimeraX-Dicom: 1.2
    ChimeraX-DistMonitor: 1.4
    ChimeraX-DockPrep: 1.1.1
    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: 1.1.1
    ChimeraX-Hbonds: 2.4
    ChimeraX-Help: 1.2.1
    ChimeraX-HKCage: 1.3
    ChimeraX-IHM: 1.1
    ChimeraX-ImageFormats: 1.2
    ChimeraX-IMOD: 1.0
    ChimeraX-IO: 1.0.1
    ChimeraX-ItemsInspection: 1.0.1
    ChimeraX-Label: 1.1.7
    ChimeraX-ListInfo: 1.1.1
    ChimeraX-Log: 1.1.5
    ChimeraX-LookingGlass: 1.1
    ChimeraX-Maestro: 1.8.2
    ChimeraX-Map: 1.1.4
    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: 2.0.12
    ChimeraX-MDcrds: 2.6
    ChimeraX-MedicalToolbar: 1.0.2
    ChimeraX-Meeting: 1.0.1
    ChimeraX-MLP: 1.1.1
    ChimeraX-mmCIF: 2.12
    ChimeraX-MMTF: 2.2
    ChimeraX-Modeller: 1.5.9
    ChimeraX-ModelPanel: 1.3.7
    ChimeraX-ModelSeries: 1.0.1
    ChimeraX-Mol2: 2.0
    ChimeraX-Mole: 1.0
    ChimeraX-Morph: 1.0.2
    ChimeraX-MouseModes: 1.2
    ChimeraX-Movie: 1.0
    ChimeraX-Neuron: 1.0
    ChimeraX-Nifti: 1.0
    ChimeraX-NRRD: 1.0
    ChimeraX-Nucleotides: 2.0.3
    ChimeraX-OpenCommand: 1.10.1
    ChimeraX-OpenCommands: 1.1
    ChimeraX-PDB: 2.7.2
    ChimeraX-PDBBio: 1.0
    ChimeraX-PDBLibrary: 1.0.2
    ChimeraX-PDBMatrices: 1.0
    ChimeraX-PickBlobs: 1.0.1
    ChimeraX-Positions: 1.0
    ChimeraX-PresetMgr: 1.1
    ChimeraX-PubChem: 2.1
    ChimeraX-QScore: 1.0
    ChimeraX-ReadPbonds: 1.0.1
    ChimeraX-Registration: 1.1.1
    ChimeraX-RemoteControl: 1.0
    ChimeraX-RenderByAttr: 1.1
    ChimeraX-RenumberResidues: 1.1
    ChimeraX-ResidueFit: 1.0.1
    ChimeraX-RestServer: 1.1
    ChimeraX-RNALayout: 1.0
    ChimeraX-RotamerLibMgr: 3.0
    ChimeraX-RotamerLibsDunbrack: 2.0
    ChimeraX-RotamerLibsDynameomics: 2.0
    ChimeraX-RotamerLibsRichardson: 2.0
    ChimeraX-SaveCommand: 1.5.1
    ChimeraX-SchemeMgr: 1.0
    ChimeraX-SDF: 2.0.1
    ChimeraX-Segger: 1.0
    ChimeraX-Segment: 1.0.1
    ChimeraX-SelInspector: 1.0
    ChimeraX-SeqView: 2.8.3
    ChimeraX-Shape: 1.0.1
    ChimeraX-Shell: 1.0.1
    ChimeraX-Shortcuts: 1.1.1
    ChimeraX-ShowSequences: 1.0.1
    ChimeraX-SideView: 1.0.1
    ChimeraX-Smiles: 2.1
    ChimeraX-SmoothLines: 1.0
    ChimeraX-SpaceNavigator: 1.0
    ChimeraX-StdCommands: 1.10.3
    ChimeraX-STL: 1.0.1
    ChimeraX-Storm: 1.0
    ChimeraX-StructMeasure: 1.1.2
    ChimeraX-Struts: 1.0.1
    ChimeraX-Surface: 1.0.1
    ChimeraX-SwapAA: 2.0.1
    ChimeraX-SwapRes: 2.2.1
    ChimeraX-TapeMeasure: 1.0
    ChimeraX-Test: 1.0
    ChimeraX-Toolbar: 1.1.2
    ChimeraX-ToolshedUtils: 1.2.1
    ChimeraX-Topography: 1.0
    ChimeraX-Tug: 1.0.1
    ChimeraX-UI: 1.28.4
    ChimeraX-uniprot: 2.2.2
    ChimeraX-UnitCell: 1.0.1
    ChimeraX-ViewDockX: 1.2
    ChimeraX-VIPERdb: 1.0
    ChimeraX-Vive: 1.1
    ChimeraX-VolumeMenu: 1.0.1
    ChimeraX-VTK: 1.0
    ChimeraX-WavefrontOBJ: 1.0
    ChimeraX-WebCam: 1.0.2
    ChimeraX-WebServices: 1.1.1
    ChimeraX-Zone: 1.0.1
    colorama: 0.4.6
    comm: 0.1.3
    contourpy: 1.0.7
    cxservices: 1.2.2
    cycler: 0.11.0
    Cython: 0.29.33
    debugpy: 1.6.7
    decorator: 5.1.1
    docutils: 0.19
    executing: 1.2.0
    filelock: 3.9.0
    fonttools: 4.39.3
    funcparserlib: 1.0.1
    grako: 3.16.5
    h5py: 3.8.0
    html2text: 2020.1.16
    idna: 3.4
    ihm: 0.35
    imagecodecs: 2022.9.26
    imagesize: 1.4.1
    importlib-metadata: 6.6.0
    ipykernel: 6.21.1
    ipython: 8.10.0
    ipython-genutils: 0.2.0
    ipywidgets: 8.0.6
    jedi: 0.18.2
    Jinja2: 3.1.2
    jupyter-client: 8.0.2
    jupyter-core: 5.3.0
    jupyterlab-widgets: 3.0.7
    kiwisolver: 1.4.4
    line-profiler: 4.0.2
    lxml: 4.9.2
    lz4: 4.3.2
    MarkupSafe: 2.1.2
    matplotlib: 3.6.3
    matplotlib-inline: 0.1.6
    MolecularDynamicsViewer: 1.4
    msgpack: 1.0.4
    nest-asyncio: 1.5.6
    netCDF4: 1.6.2
    networkx: 2.8.8
    nibabel: 5.0.1
    nptyping: 2.5.0
    numexpr: 2.8.4
    numpy: 1.23.5
    openvr: 1.23.701
    packaging: 21.3
    ParmEd: 3.4.3
    parso: 0.8.3
    pep517: 0.13.0
    pexpect: 4.8.0
    pickleshare: 0.7.5
    Pillow: 9.3.0
    pip: 23.0
    pkginfo: 1.9.6
    platformdirs: 3.5.0
    prompt-toolkit: 3.0.38
    psutil: 5.9.4
    ptyprocess: 0.7.0
    pure-eval: 0.2.2
    pycollada: 0.7.2
    pydicom: 2.3.0
    Pygments: 2.14.0
    pynrrd: 1.0.0
    PyOpenGL: 3.1.5
    PyOpenGL-accelerate: 3.1.5
    pyparsing: 3.0.9
    pyproject-hooks: 1.0.0
    PyQt6-commercial: 6.4.2
    PyQt6-Qt6: 6.4.3
    PyQt6-sip: 13.4.1
    PyQt6-WebEngine-commercial: 6.4.0
    PyQt6-WebEngine-Qt6: 6.4.3
    python-dateutil: 2.8.2
    pytz: 2023.3
    pyzmq: 25.0.2
    qtconsole: 5.4.0
    QtPy: 2.3.1
    RandomWords: 0.4.0
    requests: 2.28.2
    scipy: 1.9.3
    setuptools: 67.4.0
    setuptools-scm: 7.0.5
    sfftk-rw: 0.7.3
    six: 1.16.0
    snowballstemmer: 2.2.0
    sortedcontainers: 2.4.0
    soupsieve: 2.4.1
    sphinx: 6.1.3
    sphinx-autodoc-typehints: 1.22
    sphinxcontrib-applehelp: 1.0.4
    sphinxcontrib-blockdiag: 3.0.0
    sphinxcontrib-devhelp: 1.0.2
    sphinxcontrib-htmlhelp: 2.0.1
    sphinxcontrib-jsmath: 1.0.1
    sphinxcontrib-qthelp: 1.0.3
    sphinxcontrib-serializinghtml: 1.1.5
    stack-data: 0.6.2
    tables: 3.7.0
    tcia-utils: 1.2.0
    tifffile: 2022.10.10
    tinyarray: 1.2.4
    tomli: 2.0.1
    tornado: 6.3.1
    traitlets: 5.9.0
    typing-extensions: 4.5.0
    tzdata: 2023.3
    urllib3: 1.26.15
    wcwidth: 0.2.6
    webcolors: 1.12
    wheel: 0.38.4
    wheel-filename: 1.4.1
    widgetsnbextension: 4.0.7
    zipp: 3.15.0

}}}
"	defect	closed	normal		Input/Output		not a bug						all	ChimeraX
