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Calculate and report interactions for just one amino acid residue #138

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cesaravila79 opened this issue Dec 11, 2022 · 0 comments
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@cesaravila79
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I would like the possibility to get a report of the interactions of a single amino acid with all its surrounding atoms, either from the same or from a different chain.
Perhaps this could be achieved by passing an option instructing PLIP to treat a given amino acid the same way as a ligand.
BTW, great job. PLIP is my favorite software to analyze interactions in crystal structures.

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