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Questions on chain in LEP #48

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chao1224 opened this issue Feb 7, 2022 · 0 comments
Open

Questions on chain in LEP #48

chao1224 opened this issue Feb 7, 2022 · 0 comments

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@chao1224
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chao1224 commented Feb 7, 2022

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', '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.

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