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This repository was archived by the owner on Jan 26, 2024. It is now read-only.
This repository was archived by the owner on Jan 26, 2024. It is now read-only.

how to handle missing values #16

Description

@cbaakman

Currently reported types of missing values:

  • atom types that are not in the forcefield, in which case there's no charge values/vanderwaals parameters
  • conservation scores that are NaN, because the protein wasn't aligned at that particular position

Possibilities about how to fix this:
solution 1: skip PDB entries with missing values
solution 2: remove the residues/atoms with missing values from the PDB file, after it's loaded in.

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