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edited PSE files for FSC #23

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manonr opened this issue Sep 12, 2023 · 0 comments · May be fixed by #24
Open

edited PSE files for FSC #23

manonr opened this issue Sep 12, 2023 · 0 comments · May be fixed by #24
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@manonr
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manonr commented Sep 12, 2023

Using H3 as an example (but the same applies to H1)

  1. output of flu_strain_compare/src/renumber_H3.py is "../data/H3_renumbered.pse"
  2. input of flu_strain_compare/src/classes/flu_compare.py (line 248) is "../data/H3_pngs.pse"

If you load the two files into pymol, you can see the differences. H3_pngs.pse has PNGS sites. H3_renumbered.pse does not run if used as input for FSC.
I am looking for the script/ method to create H3_pngs.pse

@philarevalo philarevalo linked a pull request Oct 20, 2023 that will close this issue
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