The following bug report has been submitted:
Platform: Windows-10-10.0.26100
ChimeraX Version: 1.8 (2024-06-10 23:15:52 UTC)
Description
I am trying to load the PDB files for Molecular dynamic viewer butit does not charge anything.(Describe the actions that caused this problem to occur here)
Log:
Startup Messages
---
note | available bundle cache has not been initialized yet
UCSF ChimeraX version: 1.8 (2024-06-10)
© 2016-2024 Regents of the University of California. All rights reserved.
How to cite UCSF ChimeraX
> open "D:\\\MEGA
> sincronizacion\\\MEGAsync\\\Trabajo\\\KAUST\\\2025\\\Articulos\\\Fucosyltransferase
> inhibitors G1\\\Figures\\\Nueva Figura 3\\\Competencia 3\\\Compt3 92500
> ps.pdb"
Summary of feedback from opening D:\\\MEGA
sincronizacion\\\MEGAsync\\\Trabajo\\\KAUST\\\2025\\\Articulos\\\Fucosyltransferase
inhibitors G1\\\Figures\\\Nueva Figura 3\\\Competencia 3\\\Compt3 92500 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Chain information for Compt3 92500 ps.pdb #1
---
Chain | Description
> | No description available
> style ball
Changed 5376 atom styles
> set bgColor white
> mlp
Map values for surface "Compt3 92500 ps.pdb_> SES surface": minimum -29.14,
mean -3.663, maximum 23.47
To also show corresponding color key, enter the above mlp command and add key
true
> open "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 6500 ps.pdb"
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 6500 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Chain information for Compt3 6500 ps.pdb #2
---
Chain | Description
> | No description available
> style ball
Changed 10752 atom styles
> hide #!1 models
> hide #1.1 models
> show #!1 models
> open "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 11250 ps.pdb"
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 11250 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Chain information for Compt3 11250 ps.pdb #3
---
Chain | Description
> | No description available
> style ball
Changed 16128 atom styles
> hide #3 models
> hide #2 models
> hide #!1 models
> close session
> open "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 6500 ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 9250 ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 11250 ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 13500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 18000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 21750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 26000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 33250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 38000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 42000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 50250ps.pdb"
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 6500 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 9250 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 11250 ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 13500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 18000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 21750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 26000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 33250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 38000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 42000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 50250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Chain information for Compt3 6500 ps.pdb #1
---
Chain | Description
> | No description available
Chain information for Compt3 9250 ps.pdb #2
---
Chain | Description
> | No description available
Chain information for Compt3 11250 ps.pdb #3
---
Chain | Description
> | No description available
Chain information for Compt3 13500ps.pdb #4
---
Chain | Description
> | No description available
Chain information for Compt3 18000ps.pdb #5
---
Chain | Description
> | No description available
Chain information for Compt3 21750ps.pdb #6
---
Chain | Description
> | No description available
Chain information for Compt3 26000ps.pdb #7
---
Chain | Description
> | No description available
Chain information for Compt3 33250ps.pdb #8
---
Chain | Description
> | No description available
Chain information for Compt3 38000ps.pdb #9
---
Chain | Description
> | No description available
Chain information for Compt3 42000ps.pdb #10
---
Chain | Description
> | No description available
Chain information for Compt3 50250ps.pdb #11
---
Chain | Description
> | No description available
> hide #2 models
> hide #3 models
> hide #4 models
> hide #6 models
> hide #5 models
> hide #7 models
> hide #8 models
> hide #9 models
> hide #10 models
> hide #11 models
> show #2 models
> hide #1 models
> show #3 models
> hide #2 models
> hide #3 models
> show #2 models
> show #1 models
> show #3 models
> show #4 models
> show #5 models
> show #6 models
> show #7 models
> show #8 models
> show #9 models
> show #10 models
> show #11 models
> mlp
Map values for surface "Compt3 9250 ps.pdb_> SES surface": minimum -29.14,
mean -3.663, maximum 23.47
Map values for surface "Compt3 26000ps.pdb_> SES surface": minimum -27.21,
mean -3.559, maximum 23.64
Map values for surface "Compt3 18000ps.pdb_> SES surface": minimum -25.7, mean
-3.503, maximum 23.89
Map values for surface "Compt3 21750ps.pdb_> SES surface": minimum -26.13,
mean -3.246, maximum 24.3
Map values for surface "Compt3 6500 ps.pdb_> SES surface": minimum -26.83,
mean -3.529, maximum 23.82
Map values for surface "Compt3 11250 ps.pdb_> SES surface": minimum -24.87,
mean -3.681, maximum 23.98
Map values for surface "Compt3 13500ps.pdb_> SES surface": minimum -25.53,
mean -3.509, maximum 27.02
Map values for surface "Compt3 42000ps.pdb_> SES surface": minimum -28.87,
mean -3.334, maximum 24.11
Map values for surface "Compt3 50250ps.pdb_> SES surface": minimum -25.65,
mean -3.395, maximum 26.77
Map values for surface "Compt3 33250ps.pdb_> SES surface": minimum -27.07,
mean -3.482, maximum 23.39
Map values for surface "Compt3 38000ps.pdb_> SES surface": minimum -27.04,
mean -3.151, maximum 24.63
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!2 models
> hide #!3 models
> hide #!4 models
> hide #!5 models
> hide #!6 models
> hide #!7 models
> hide #!8 models
> hide #!9 models
> hide #!10 models
> hide #!11 models
> show #!2 models
> hide #!1 models
> show #!3 models
> hide #!2 models
> show #!4 models
> hide #!3 models
> show #!5 models
> hide #!4 models
> show #!6 models
> hide #!5 models
> show #!7 models
> hide #!6 models
> show #!8 models
> hide #!7 models
> show #!9 models
> hide #!8 models
> hide #!9 models
> show #!10 models
> hide #!10 models
> show #!11 models
> open "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 53500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 61000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 66000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 76500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 85250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 93750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 104250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 115000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 136000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 145500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 153250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 155750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 160500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 170250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 176750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 180500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 189250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 198500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 206000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 208750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 211750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 215000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 221500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 232000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 247000ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 260500ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 280250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 291750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 307250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 315250ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 329750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 338750ps.pdb"
> "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 346750ps.pdb"
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 53500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 61000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 66000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 76500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 85250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 93750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 104250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 115000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 136000ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 145500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 153250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 155750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 160500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 170250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 176750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 180500ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 189250ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 198500ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 206000ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 208750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 211750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 215000ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 221500ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 232000ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 247000ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 260500ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
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REMARK YASARA * *
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REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 280250ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 291750ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 307250ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 315250ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
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REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 329750ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 338750ps.pdb
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warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
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Summary of feedback from opening D:/MEGA
sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Compt3 346750ps.pdb
---
warnings | Ignored bad PDB record found on line 1
REMARK YASARA *************************************************************
Ignored bad PDB record found on line 2
REMARK YASARA * *
Ignored bad PDB record found on line 3
REMARK YASARA * Y A S A R A *
Ignored bad PDB record found on line 4
REMARK YASARA * *
Ignored bad PDB record found on line 5
REMARK YASARA * Yet Another Scientific Artificial Reality Application *
14 messages similar to the above omitted
Chain information for Compt3 53500ps.pdb #12
---
Chain | Description
> | No description available
Chain information for Compt3 61000ps.pdb #13
---
Chain | Description
> | No description available
Chain information for Compt3 66000ps.pdb #14
---
Chain | Description
> | No description available
Chain information for Compt3 76500ps.pdb #15
---
Chain | Description
> | No description available
Chain information for Compt3 85250ps.pdb #16
---
Chain | Description
> | No description available
Chain information for Compt3 93750ps.pdb #17
---
Chain | Description
> | No description available
Chain information for Compt3 104250ps.pdb #18
---
Chain | Description
> | No description available
Chain information for Compt3 115000ps.pdb #19
---
Chain | Description
> | No description available
Chain information for Compt3 136000ps.pdb #20
---
Chain | Description
> | No description available
Chain information for Compt3 145500ps.pdb #21
---
Chain | Description
> | No description available
Chain information for Compt3 153250ps.pdb #22
---
Chain | Description
> | No description available
Chain information for Compt3 155750ps.pdb #23
---
Chain | Description
> | No description available
Chain information for Compt3 160500ps.pdb #24
---
Chain | Description
> | No description available
Chain information for Compt3 170250ps.pdb #25
---
Chain | Description
> | No description available
Chain information for Compt3 176750ps.pdb #26
---
Chain | Description
> | No description available
Chain information for Compt3 180500ps.pdb #27
---
Chain | Description
> | No description available
Chain information for Compt3 189250ps.pdb #28
---
Chain | Description
> | No description available
Chain information for Compt3 198500ps.pdb #29
---
Chain | Description
> | No description available
Chain information for Compt3 206000ps.pdb #30
---
Chain | Description
> | No description available
Chain information for Compt3 208750ps.pdb #31
---
Chain | Description
> | No description available
Chain information for Compt3 211750ps.pdb #32
---
Chain | Description
> | No description available
Chain information for Compt3 215000ps.pdb #33
---
Chain | Description
> | No description available
Chain information for Compt3 221500ps.pdb #34
---
Chain | Description
> | No description available
Chain information for Compt3 232000ps.pdb #35
---
Chain | Description
> | No description available
Chain information for Compt3 247000ps.pdb #36
---
Chain | Description
> | No description available
Chain information for Compt3 260500ps.pdb #37
---
Chain | Description
> | No description available
Chain information for Compt3 280250ps.pdb #38
---
Chain | Description
> | No description available
Chain information for Compt3 291750ps.pdb #39
---
Chain | Description
> | No description available
Chain information for Compt3 307250ps.pdb #40
---
Chain | Description
> | No description available
Chain information for Compt3 315250ps.pdb #41
---
Chain | Description
> | No description available
Chain information for Compt3 329750ps.pdb #42
---
Chain | Description
> | No description available
Chain information for Compt3 338750ps.pdb #43
---
Chain | Description
> | No description available
Chain information for Compt3 346750ps.pdb #44
---
Chain | Description
> | No description available
> ui tool show Matchmaker
> matchmaker #12-44#!2-11 to #1
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 Compt3 6500 ps.pdb, chain > (#1) with Compt3 53500ps.pdb, chain >
(#12), sequence alignment score = 1493.8
RMSD between 148 pruned atom pairs is 1.365 angstroms; (across all 299 pairs:
2.449)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 61000ps.pdb, chain >
(#13), sequence alignment score = 1509.4
RMSD between 135 pruned atom pairs is 1.191 angstroms; (across all 299 pairs:
2.923)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 66000ps.pdb, chain >
(#14), sequence alignment score = 1517.8
RMSD between 163 pruned atom pairs is 1.132 angstroms; (across all 299 pairs:
2.345)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 76500ps.pdb, chain >
(#15), sequence alignment score = 1504.6
RMSD between 145 pruned atom pairs is 0.978 angstroms; (across all 299 pairs:
3.390)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 85250ps.pdb, chain >
(#16), sequence alignment score = 1526.8
RMSD between 133 pruned atom pairs is 0.963 angstroms; (across all 299 pairs:
3.960)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 93750ps.pdb, chain >
(#17), sequence alignment score = 1495.6
RMSD between 119 pruned atom pairs is 0.933 angstroms; (across all 299 pairs:
5.317)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 104250ps.pdb, chain >
(#18), sequence alignment score = 1501.6
RMSD between 145 pruned atom pairs is 0.994 angstroms; (across all 299 pairs:
2.914)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 115000ps.pdb, chain >
(#19), sequence alignment score = 1506.4
RMSD between 134 pruned atom pairs is 0.875 angstroms; (across all 299 pairs:
2.881)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 136000ps.pdb, chain >
(#20), sequence alignment score = 1505.8
RMSD between 182 pruned atom pairs is 1.189 angstroms; (across all 299 pairs:
2.293)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 145500ps.pdb, chain >
(#21), sequence alignment score = 1520.2
RMSD between 197 pruned atom pairs is 1.349 angstroms; (across all 299 pairs:
2.267)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 153250ps.pdb, chain >
(#22), sequence alignment score = 1502.2
RMSD between 154 pruned atom pairs is 1.102 angstroms; (across all 299 pairs:
2.615)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 155750ps.pdb, chain >
(#23), sequence alignment score = 1525
RMSD between 191 pruned atom pairs is 1.338 angstroms; (across all 299 pairs:
2.172)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 160500ps.pdb, chain >
(#24), sequence alignment score = 1538.2
RMSD between 213 pruned atom pairs is 1.297 angstroms; (across all 299 pairs:
1.843)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 170250ps.pdb, chain >
(#25), sequence alignment score = 1513.6
RMSD between 194 pruned atom pairs is 1.340 angstroms; (across all 299 pairs:
2.275)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 176750ps.pdb, chain >
(#26), sequence alignment score = 1524.4
RMSD between 256 pruned atom pairs is 1.148 angstroms; (across all 299 pairs:
1.517)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 180500ps.pdb, chain >
(#27), sequence alignment score = 1491.4
RMSD between 253 pruned atom pairs is 1.159 angstroms; (across all 299 pairs:
1.659)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 189250ps.pdb, chain >
(#28), sequence alignment score = 1501
RMSD between 137 pruned atom pairs is 1.125 angstroms; (across all 299 pairs:
2.603)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 198500ps.pdb, chain >
(#29), sequence alignment score = 1534.6
RMSD between 167 pruned atom pairs is 1.097 angstroms; (across all 299 pairs:
2.437)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 206000ps.pdb, chain >
(#30), sequence alignment score = 1478.2
RMSD between 132 pruned atom pairs is 0.888 angstroms; (across all 299 pairs:
4.449)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 208750ps.pdb, chain >
(#31), sequence alignment score = 1551.4
RMSD between 167 pruned atom pairs is 1.078 angstroms; (across all 299 pairs:
2.656)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 211750ps.pdb, chain >
(#32), sequence alignment score = 1525.6
RMSD between 163 pruned atom pairs is 1.053 angstroms; (across all 299 pairs:
3.473)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 215000ps.pdb, chain >
(#33), sequence alignment score = 1517.8
RMSD between 153 pruned atom pairs is 0.921 angstroms; (across all 299 pairs:
3.073)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 221500ps.pdb, chain >
(#34), sequence alignment score = 1494.4
RMSD between 188 pruned atom pairs is 1.135 angstroms; (across all 299 pairs:
2.303)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 232000ps.pdb, chain >
(#35), sequence alignment score = 1525.6
RMSD between 235 pruned atom pairs is 1.303 angstroms; (across all 299 pairs:
1.769)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 247000ps.pdb, chain >
(#36), sequence alignment score = 1507.6
RMSD between 202 pruned atom pairs is 1.355 angstroms; (across all 299 pairs:
2.106)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 260500ps.pdb, chain >
(#37), sequence alignment score = 1522
RMSD between 141 pruned atom pairs is 1.062 angstroms; (across all 299 pairs:
3.153)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 280250ps.pdb, chain >
(#38), sequence alignment score = 1473.4
RMSD between 217 pruned atom pairs is 1.269 angstroms; (across all 299 pairs:
1.990)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 291750ps.pdb, chain >
(#39), sequence alignment score = 1493.8
RMSD between 228 pruned atom pairs is 1.248 angstroms; (across all 299 pairs:
1.916)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 307250ps.pdb, chain >
(#40), sequence alignment score = 1518.4
RMSD between 191 pruned atom pairs is 1.345 angstroms; (across all 299 pairs:
2.138)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 315250ps.pdb, chain >
(#41), sequence alignment score = 1474.6
RMSD between 155 pruned atom pairs is 1.096 angstroms; (across all 299 pairs:
3.673)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 329750ps.pdb, chain >
(#42), sequence alignment score = 1522
RMSD between 131 pruned atom pairs is 1.035 angstroms; (across all 299 pairs:
3.347)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 338750ps.pdb, chain >
(#43), sequence alignment score = 1480.6
RMSD between 199 pruned atom pairs is 1.256 angstroms; (across all 299 pairs:
2.253)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 346750ps.pdb, chain >
(#44), sequence alignment score = 1485.4
RMSD between 166 pruned atom pairs is 1.046 angstroms; (across all 299 pairs:
3.012)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 9250 ps.pdb, chain >
(#2), sequence alignment score = 1516.6
RMSD between 208 pruned atom pairs is 1.281 angstroms; (across all 299 pairs:
1.864)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 11250 ps.pdb, chain >
(#3), sequence alignment score = 1466.8
RMSD between 157 pruned atom pairs is 1.031 angstroms; (across all 299 pairs:
2.803)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 13500ps.pdb, chain >
(#4), sequence alignment score = 1474
RMSD between 219 pruned atom pairs is 1.152 angstroms; (across all 299 pairs:
1.707)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 18000ps.pdb, chain >
(#5), sequence alignment score = 1511.8
RMSD between 232 pruned atom pairs is 1.182 angstroms; (across all 299 pairs:
1.723)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 21750ps.pdb, chain >
(#6), sequence alignment score = 1519.6
RMSD between 169 pruned atom pairs is 1.068 angstroms; (across all 299 pairs:
2.663)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 26000ps.pdb, chain >
(#7), sequence alignment score = 1490.8
RMSD between 213 pruned atom pairs is 1.169 angstroms; (across all 299 pairs:
1.937)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 33250ps.pdb, chain >
(#8), sequence alignment score = 1517.2
RMSD between 201 pruned atom pairs is 1.224 angstroms; (across all 299 pairs:
2.167)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 38000ps.pdb, chain >
(#9), sequence alignment score = 1502.2
RMSD between 153 pruned atom pairs is 1.070 angstroms; (across all 299 pairs:
3.676)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 42000ps.pdb, chain >
(#10), sequence alignment score = 1491.4
RMSD between 161 pruned atom pairs is 1.105 angstroms; (across all 299 pairs:
3.361)
Matchmaker Compt3 6500 ps.pdb, chain > (#1) with Compt3 50250ps.pdb, chain >
(#11), sequence alignment score = 1520.8
RMSD between 175 pruned atom pairs is 1.157 angstroms; (across all 299 pairs:
2.260)
> show #!1 models
> show #!2 models
> show #!3 models
> show #!4 models
> show #!5 models
> show #!6 models
> show #!7 models
> show #!8 models
> show #!9 models
> show #!10 models
> mlp
Map values for surface "Compt3 9250 ps.pdb_> SES surface": minimum -29.21,
mean -3.666, maximum 23.32
Map values for surface "Compt3 26000ps.pdb_> SES surface": minimum -26.71,
mean -3.558, maximum 23.68
Map values for surface "Compt3 18000ps.pdb_> SES surface": minimum -26.44,
mean -3.506, maximum 23.86
Map values for surface "Compt3 21750ps.pdb_> SES surface": minimum -26.13,
mean -3.246, maximum 23.99
Map values for surface "Compt3 6500 ps.pdb_> SES surface": minimum -26.83,
mean -3.529, maximum 23.82
Map values for surface "Compt3 11250 ps.pdb_> SES surface": minimum -24.73,
mean -3.677, maximum 23.86
Map values for surface "Compt3 13500ps.pdb_> SES surface": minimum -25.71,
mean -3.506, maximum 26.41
Map values for surface "Compt3 42000ps.pdb_> SES surface": minimum -29.38,
mean -3.338, maximum 24.27
Map values for surface "Compt3 50250ps.pdb_> SES surface": minimum -26.2, mean
-3.393, maximum 26.91
Map values for surface "Compt3 33250ps.pdb_> SES surface": minimum -27.33,
mean -3.48, maximum 23.85
Map values for surface "Compt3 38000ps.pdb_> SES surface": minimum -27.11,
mean -3.152, maximum 25.14
Map values for surface "Compt3 153250ps.pdb_> SES surface": minimum -26.78,
mean -3.311, maximum 25.86
Map values for surface "Compt3 76500ps.pdb_> SES surface": minimum -26.47,
mean -3.379, maximum 23.8
Map values for surface "Compt3 61000ps.pdb_> SES surface": minimum -26.73,
mean -3.527, maximum 23.84
Map values for surface "Compt3 66000ps.pdb_> SES surface": minimum -25.35,
mean -3.484, maximum 23.4
Map values for surface "Compt3 85250ps.pdb_> SES surface": minimum -24.8, mean
-3.341, maximum 22.75
Map values for surface "Compt3 93750ps.pdb_> SES surface": minimum -28.86,
mean -3.533, maximum 23.17
Map values for surface "Compt3 136000ps.pdb_> SES surface": minimum -25.38,
mean -3.543, maximum 25.13
Map values for surface "Compt3 53500ps.pdb_> SES surface": minimum -27.02,
mean -3.423, maximum 25.02
Map values for surface "Compt3 104250ps.pdb_> SES surface": minimum -28.91,
mean -3.485, maximum 25.76
Map values for surface "Compt3 115000ps.pdb_> SES surface": minimum -28.15,
mean -3.344, maximum 24.43
Map values for surface "Compt3 145500ps.pdb_> SES surface": minimum -25.03,
mean -3.35, maximum 22.89
Map values for surface "Compt3 189250ps.pdb_> SES surface": minimum -25.78,
mean -3.262, maximum 24
Map values for surface "Compt3 198500ps.pdb_> SES surface": minimum -25.59,
mean -3.512, maximum 24.5
Map values for surface "Compt3 206000ps.pdb_> SES surface": minimum -26.21,
mean -3.334, maximum 23.85
Map values for surface "Compt3 208750ps.pdb_> SES surface": minimum -27.4,
mean -3.497, maximum 24.11
Map values for surface "Compt3 155750ps.pdb_> SES surface": minimum -26.09,
mean -3.197, maximum 25.42
Map values for surface "Compt3 160500ps.pdb_> SES surface": minimum -25.45,
mean -3.103, maximum 23.37
Map values for surface "Compt3 170250ps.pdb_> SES surface": minimum -25.83,
mean -3.1, maximum 25.56
Map values for surface "Compt3 176750ps.pdb_> SES surface": minimum -25.6,
mean -3.209, maximum 22.67
Map values for surface "Compt3 180500ps.pdb_> SES surface": minimum -26.02,
mean -2.985, maximum 24.88
Map values for surface "Compt3 338750ps.pdb_> SES surface": minimum -26.01,
mean -3.37, maximum 23.93
Map values for surface "Compt3 315250ps.pdb_> SES surface": minimum -27.2,
mean -3.341, maximum 23.71
Map values for surface "Compt3 291750ps.pdb_> SES surface": minimum -25.14,
mean -3.359, maximum 23.12
Map values for surface "Compt3 280250ps.pdb_> SES surface": minimum -26.44,
mean -3.304, maximum 26.85
Map values for surface "Compt3 307250ps.pdb_> SES surface": minimum -26.18,
mean -3.378, maximum 24.75
Map values for surface "Compt3 329750ps.pdb_> SES surface": minimum -25.68,
mean -3.355, maximum 25.43
Map values for surface "Compt3 211750ps.pdb_> SES surface": minimum -25.96,
mean -3.384, maximum 24.2
Map values for surface "Compt3 247000ps.pdb_> SES surface": minimum -26.1,
mean -3.4, maximum 26.24
Map values for surface "Compt3 221500ps.pdb_> SES surface": minimum -25.39,
mean -3.406, maximum 25.58
Map values for surface "Compt3 215000ps.pdb_> SES surface": minimum -24.78,
mean -3.486, maximum 24.04
Map values for surface "Compt3 232000ps.pdb_> SES surface": minimum -26.01,
mean -3.243, maximum 25.64
Map values for surface "Compt3 260500ps.pdb_> SES surface": minimum -24.32,
mean -3.147, maximum 23.12
Map values for surface "Compt3 346750ps.pdb_> SES surface": minimum -26.63,
mean -2.981, maximum 24.94
To also show corresponding color key, enter the above mlp command and add key
true
> hide #!44 models
> hide #!43 models
> hide #!42 models
> hide #!41 models
> hide #!40 models
> hide #!38 models
> hide #!37 models
> hide #!36 models
> hide #!35 models
> hide #!34 models
> hide #!33 models
> hide #!39 models
> hide #!32 models
> hide #!31 models
> hide #!30 models
> hide #!29 models
> hide #!28 models
> hide #!27 models
> hide #!26 models
> hide #!25 models
> hide #!24 models
> hide #!23 models
> hide #!22 models
> hide #!20 models
> hide #!19 models
> hide #!18 models
> hide #!17 models
> hide #!15 models
> hide #!14 models
> hide #!13 models
> hide #!12 models
> hide #!11 models
> hide #!10 models
> hide #!9 models
> hide #!8 models
> hide #!7 models
> hide #!6 models
> hide #!5 models
> hide #!4 models
> hide #!3 models
> hide #!2 models
> hide #!16 models
> hide #!21 models
> save "D:/MEGA
> sincronizacion/MEGAsync/Trabajo/KAUST/2025/Articulos/Fucosyltransferase
> inhibitors G1/Figures/Nueva Figura 3/Competencia 3/Competencia 3.cxs"
> show #!16 models
> hide #!16 models
> hide #!1 models
> show #!16 models
> hide #!16 models
> show #!17 models
> show #!18 models
> hide #!17 models
> hide #!18 models
> show #!19 models
> show #!20 models
> hide #!19 models
> show #!38 models
> hide #!20 models
> hide #!38 models
> show #!39 models
> show #!44 models
> hide #!39 models
> select clear
> select #1//chain_id='>'
4884 atoms, 4978 bonds, 299 residues, 1 model selected
> show #!1 models
> hide #!44 models
> select #44//chain_id='>'
4884 atoms, 4978 bonds, 299 residues, 1 model selected
> select add #44
5376 atoms, 5494 bonds, 311 residues, 2 models selected
> select subtract #44
1 model selected
> select clear
> select ligand
21648 atoms, 22704 bonds, 528 residues, 44 models selected
> show #!44 models
> hide #!1 models
> select clear
> graphics silhouettes true
> toolshed show
Downloading bundle MolecularDynamicsViewer-1.6-py3-none-any.whl
Installed MolecularDynamicsViewer (1.6)
QWebEngineUrlScheme::registerScheme: Too late to register scheme "kmd"
> ui tool show ViewDockX
No suitable models found for ViewDockX
> ui tool show "Molecular Dynamics Viewer"
Please register the custom scheme 'kmd' via
QWebEngineUrlScheme::registerScheme() before installing the custom scheme
handler.
> save "C:/Users/yosse/OneDrive/Desktop/MD/MD competition FUT6 3(620) vs FUT9
> ligands/3 menos moleculas/Competencia 3 2x.cxs"
> close session
> ui tool show "Molecular Dynamics Viewer"
Please register the custom scheme 'kmd' via
QWebEngineUrlScheme::registerScheme() before installing the custom scheme
handler.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 320, in interceptRequest
self._callback(info)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 93, in _intercept
return interceptor(request_info, *args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\htmltool.py", line 112, in _navigate
self.session.ui.thread_safe(self.handle_scheme, url)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 423, in thread_safe
func(*args, **kw)
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 57, in handle_scheme
self.openFile()
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
IndexError: list index out of range
IndexError: list index out of range
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 320, in interceptRequest
self._callback(info)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 93, in _intercept
return interceptor(request_info, *args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\htmltool.py", line 112, in _navigate
self.session.ui.thread_safe(self.handle_scheme, url)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 423, in thread_safe
func(*args, **kw)
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 57, in handle_scheme
self.openFile()
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
IndexError: list index out of range
IndexError: list index out of range
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
See log for complete Python traceback.
Traceback (most recent call last):
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 320, in interceptRequest
self._callback(info)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\widgets\htmlview.py", line 93, in _intercept
return interceptor(request_info, *args)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-
packages\chimerax\ui\htmltool.py", line 112, in _navigate
self.session.ui.thread_safe(self.handle_scheme, url)
File "C:\Program Files\ChimeraX 1.8\bin\Lib\site-packages\chimerax\ui\gui.py",
line 423, in thread_safe
func(*args, **kw)
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 57, in handle_scheme
self.openFile()
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
IndexError: list index out of range
IndexError: list index out of range
File "C:\Users\yosse\AppData\Local\UCSF\ChimeraX\1.8\Python311\site-
packages\com\kdiller\dynamics\viewer\gui.py", line 239, in openFile
self.atomStruct.atoms.coords = self.atomLocation[0]
~~~~~~~~~~~~~~~~~^^^
See log for complete Python traceback.
OpenGL version: 3.3.0 NVIDIA 551.83
OpenGL renderer: NVIDIA GeForce RTX 3060/PCIe/SSE2
OpenGL vendor: NVIDIA Corporation
Python: 3.11.4
Locale: en_GB.cp1252
Qt version: PyQt6 6.6.1, Qt 6.6.1
Qt runtime version: 6.6.3
Qt platform: windows
Manufacturer: Acer
Model: Nitro N50-640
OS: Microsoft Windows 11 Home (Build 26100)
Memory: 17,016,274,944
MaxProcessMemory: 137,438,953,344
CPU: 20 12th Gen Intel(R) Core(TM) i7-12700F
OSLanguage: en-GB
Installed Packages:
alabaster: 0.7.16
appdirs: 1.4.4
asttokens: 2.4.1
Babel: 2.15.0
beautifulsoup4: 4.12.3
blockdiag: 3.0.0
blosc2: 2.0.0
build: 1.2.1
certifi: 2024.6.2
cftime: 1.6.4
charset-normalizer: 3.3.2
ChimeraX-AddCharge: 1.5.17
ChimeraX-AddH: 2.2.6
ChimeraX-AlignmentAlgorithms: 2.0.2
ChimeraX-AlignmentHdrs: 3.5
ChimeraX-AlignmentMatrices: 2.1
ChimeraX-Alignments: 2.12.7
ChimeraX-AlphaFold: 1.0
ChimeraX-AltlocExplorer: 1.1.1
ChimeraX-AmberInfo: 1.0
ChimeraX-Arrays: 1.1
ChimeraX-Atomic: 1.57.1
ChimeraX-AtomicLibrary: 14.0.6
ChimeraX-AtomSearch: 2.0.1
ChimeraX-AxesPlanes: 2.4
ChimeraX-BasicActions: 1.1.2
ChimeraX-BILD: 1.0
ChimeraX-BlastProtein: 2.4.6
ChimeraX-BondRot: 2.0.4
ChimeraX-BugReporter: 1.0.1
ChimeraX-BuildStructure: 2.12.1
ChimeraX-Bumps: 1.0
ChimeraX-BundleBuilder: 1.2.7
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: 2.2.4
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: 1.8
ChimeraX-CoreFormats: 1.2
ChimeraX-coulombic: 1.4.3
ChimeraX-Crosslinks: 1.0
ChimeraX-Crystal: 1.0
ChimeraX-CrystalContacts: 1.0.1
ChimeraX-DataFormats: 1.2.3
ChimeraX-Dicom: 1.2.4
ChimeraX-DiffPlot: 1.0
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: 1.1.1
ChimeraX-Hbonds: 2.4
ChimeraX-Help: 1.2.2
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-IUPAC: 1.0
ChimeraX-Label: 1.1.10
ChimeraX-ListInfo: 1.2.2
ChimeraX-Log: 1.1.6
ChimeraX-LookingGlass: 1.1
ChimeraX-Maestro: 1.9.1
ChimeraX-Map: 1.2
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: 2.1.3
ChimeraX-MCopy: 1.0
ChimeraX-MDcrds: 2.7.1
ChimeraX-MedicalToolbar: 1.0.3
ChimeraX-Meeting: 1.0.1
ChimeraX-MLP: 1.1.1
ChimeraX-mmCIF: 2.14.1
ChimeraX-MMTF: 2.2
ChimeraX-Modeller: 1.5.17
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-Neuron: 1.0
ChimeraX-Nifti: 1.2
ChimeraX-NMRSTAR: 1.0.2
ChimeraX-NRRD: 1.2
ChimeraX-Nucleotides: 2.0.3
ChimeraX-OpenCommand: 1.13.5
ChimeraX-PDB: 2.7.5
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: 1.1.1
ChimeraX-PubChem: 2.2
ChimeraX-ReadPbonds: 1.0.1
ChimeraX-Registration: 1.1.2
ChimeraX-RemoteControl: 1.0
ChimeraX-RenderByAttr: 1.4.1
ChimeraX-RenumberResidues: 1.1
ChimeraX-ResidueFit: 1.0.1
ChimeraX-RestServer: 1.2
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: 3.0.15
ChimeraX-SelInspector: 1.0
ChimeraX-SeqView: 2.11.2
ChimeraX-Shape: 1.0.1
ChimeraX-Shell: 1.0.1
ChimeraX-Shortcuts: 1.1.1
ChimeraX-ShowSequences: 1.0.3
ChimeraX-SideView: 1.0.1
ChimeraX-Smiles: 2.1.2
ChimeraX-SmoothLines: 1.0
ChimeraX-SpaceNavigator: 1.0
ChimeraX-StdCommands: 1.16.5
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: 1.1.2
ChimeraX-ToolshedUtils: 1.2.4
ChimeraX-Topography: 1.0
ChimeraX-ToQuest: 1.0
ChimeraX-Tug: 1.0.1
ChimeraX-UI: 1.39.1
ChimeraX-uniprot: 2.3
ChimeraX-UnitCell: 1.0.1
ChimeraX-ViewDockX: 1.4.3
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
comtypes: 1.4.1
contourpy: 1.2.1
cxservices: 1.2.2
cycler: 0.12.1
Cython: 3.0.10
debugpy: 1.8.1
decorator: 5.1.1
docutils: 0.20.1
executing: 2.0.1
filelock: 3.13.4
fonttools: 4.53.0
funcparserlib: 2.0.0a0
glfw: 2.7.0
grako: 3.16.5
h5py: 3.11.0
html2text: 2024.2.26
idna: 3.7
ihm: 1.0
imagecodecs: 2024.1.1
imagesize: 1.4.1
ipykernel: 6.29.2
ipython: 8.21.0
ipywidgets: 8.1.3
jedi: 0.19.1
jinja2: 3.1.4
jupyter-client: 8.6.0
jupyter-core: 5.7.2
jupyterlab-widgets: 3.0.11
kiwisolver: 1.4.5
line-profiler: 4.1.2
lxml: 5.2.1
lz4: 4.3.3
MarkupSafe: 2.1.5
matplotlib: 3.8.4
matplotlib-inline: 0.1.7
MolecularDynamicsViewer: 1.6
msgpack: 1.0.8
nest-asyncio: 1.6.0
netCDF4: 1.6.5
networkx: 3.3
nibabel: 5.2.0
nptyping: 2.5.0
numexpr: 2.10.0
numpy: 1.26.4
openvr: 1.26.701
packaging: 24.1
ParmEd: 4.2.2
parso: 0.8.4
pep517: 0.13.1
pillow: 10.3.0
pip: 24.0
pkginfo: 1.10.0
platformdirs: 4.2.2
prompt-toolkit: 3.0.47
psutil: 5.9.8
pure-eval: 0.2.2
py-cpuinfo: 9.0.0
pycollada: 0.8
pydicom: 2.4.4
pygments: 2.17.2
pynmrstar: 3.3.4
pynrrd: 1.0.0
PyOpenGL: 3.1.7
PyOpenGL-accelerate: 3.1.7
pyopenxr: 1.0.3401
pyparsing: 3.1.2
pyproject-hooks: 1.1.0
PyQt6-commercial: 6.6.1
PyQt6-Qt6: 6.6.3
PyQt6-sip: 13.6.0
PyQt6-WebEngine-commercial: 6.6.0
PyQt6-WebEngine-Qt6: 6.6.3
python-dateutil: 2.9.0.post0
pytz: 2024.1
pywin32: 306
pyzmq: 26.0.3
qtconsole: 5.5.1
QtPy: 2.4.1
RandomWords: 0.4.0
requests: 2.31.0
scipy: 1.13.0
setuptools: 69.5.1
sfftk-rw: 0.8.1
six: 1.16.0
snowballstemmer: 2.2.0
sortedcontainers: 2.4.0
soupsieve: 2.5
sphinx: 7.2.6
sphinx-autodoc-typehints: 2.0.1
sphinxcontrib-applehelp: 1.0.8
sphinxcontrib-blockdiag: 3.0.0
sphinxcontrib-devhelp: 1.0.6
sphinxcontrib-htmlhelp: 2.0.5
sphinxcontrib-jsmath: 1.0.1
sphinxcontrib-qthelp: 1.0.7
sphinxcontrib-serializinghtml: 1.1.10
stack-data: 0.6.3
superqt: 0.6.3
tables: 3.8.0
tcia-utils: 1.5.1
tifffile: 2024.1.30
tinyarray: 1.2.4
tornado: 6.4.1
traitlets: 5.14.2
typing-extensions: 4.12.2
tzdata: 2024.1
urllib3: 2.2.1
wcwidth: 0.2.13
webcolors: 1.13
wheel: 0.43.0
wheel-filename: 1.4.1
widgetsnbextension: 4.0.11
WMI: 1.5.1
![[ChimeraX Issue Tracking System]](/trac/ChimeraX/chrome/site/ChimeraX-icon.svg){kind=icon}
Hi Yossef,
--Eric