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Consider adding atom-based symmetry handling #137

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arose opened this issue Mar 13, 2021 · 0 comments
Open

Consider adding atom-based symmetry handling #137

arose opened this issue Mar 13, 2021 · 0 comments
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enhancement New feature or request

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@arose
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arose commented Mar 13, 2021

Currently symmetry transformations are done per-chain. This works mostly fine for macro molecules (with some exception, for example it doesn't fill unitcell of 2D3E).

It does not work small molecule crystal structures, e.g., from ccdc or cod.

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