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Interaction Atom map #143

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cbouy opened this issue Aug 13, 2023 · 0 comments
Open

Interaction Atom map #143

cbouy opened this issue Aug 13, 2023 · 0 comments
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visualization Visualization

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@cbouy
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cbouy commented Aug 13, 2023

Would use RDKit's ContourAndDrawGaussians or GetSimilarityMapFromWeights (or JS SmilesDrawer?) to generate a heatmap of interactions on the ligand, i.e. which atoms are more frequently involved in different types of interactions
@cbouy cbouy added the visualization Visualization label Aug 13, 2023
@cbouy cbouy changed the title Interaction heatmap Interaction Atom map Aug 20, 2023
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