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Topology table of vdw radii is pretty sparse #2138

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richardjgowers opened this Issue Nov 11, 2018 · 1 comment

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richardjgowers commented Nov 11, 2018

There is a dictionary of vdw radii in MDAnalysis.topology.tables.vdwradii. It currently contains:

{'C': 1.5, 'F': 1.2, 'H': 0.4, 'N': 1.1, 'O': 1.05, 'S': 1.6, 'P': 1.6}

It should really cover more..

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richardjgowers commented Nov 16, 2018

@PicoCentauri PicoCentauri referenced a pull request that will close this issue Nov 18, 2018

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Added more vdw radii #2142

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