You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I have some questions on the LEP dataset. So it seems that there are multiple values for the chain in atoms, e.g. I have the following 5 chain sets for all atoms:
{'L', 'A'}
{'L', 'D', 'E', 'B', 'G'}
{'C', 'A', 'B', 'L'}
{'L', 'A', 'B'}
{'L', 'D', 'C'}
'L' stands for the ligands, but what about others? And according to this function, you are saying any chain that is not 'L' is treated to be in the pocket? Including 'A', 'B', 'C', 'D', 'E', 'G' right?
Just want to double-check to better understand the dataset. Any help is appreciated.
The text was updated successfully, but these errors were encountered:
Hi there,
Thank you for providing the code base.
I have some questions on the LEP dataset. So it seems that there are multiple values for the
chain
in atoms, e.g. I have the following 5 chain sets for all atoms:'L' stands for the ligands, but what about others? And according to this function, you are saying any chain that is not 'L' is treated to be in the pocket? Including 'A', 'B', 'C', 'D', 'E', 'G' right?
Just want to double-check to better understand the dataset. Any help is appreciated.
The text was updated successfully, but these errors were encountered: