﻿id	summary	reporter	owner	description	type	status	priority	milestone	component	version	resolution	keywords	cc	blockedby	blocking	notify_on_close	platform	project
17476	Molecular Dynamics Viewer: list index out of range	yossef.delossantos@…	Eric Pettersen	"{{{
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 * *  
  
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 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 *  
  
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 76500ps.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 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 *  
  
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 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 * *  
  
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 136000ps.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 145500ps.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 153250ps.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 155750ps.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 160500ps.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 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 *  
  
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 176750ps.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 180500ps.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 189250ps.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 198500ps.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 206000ps.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 208750ps.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 211750ps.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 215000ps.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 221500ps.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 232000ps.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 247000ps.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 260500ps.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 280250ps.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 291750ps.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 307250ps.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 315250ps.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 329750ps.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 338750ps.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 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
}}}
"	defect	closed	normal		Third Party		limitation		Kyle Diller				all	ChimeraX
