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By default do not wrap atomic coordinates to the unit cell #2629

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Sep 20, 2023

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In most inorganic cases, the atomic coordinates are already fractional and this shouldn't matter.

But this can break atom-atom bonds (e.g., in Avogadro) OpenChemistry/avogadrolibs#1318

In most inorganic cases, the atomic coordinates are already
fractional and this shouldn't matter.

But this can break atom-atom bonds (e.g., in Avogadro)
OpenChemistry/avogadrolibs#1318

Signed-off-by: Geoff Hutchison <geoff.hutchison@gmail.com>
@ghutchis ghutchis merged commit e7aa094 into openbabel:master Sep 20, 2023
5 of 6 checks passed
@ghutchis ghutchis deleted the dont-wrap-cif-coordinates branch September 20, 2023 19:47
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