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Fragmentation of hetoroatoms to separate fragments in molecules #35

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jokpreiksa opened this issue Mar 15, 2021 · 0 comments
Open

Fragmentation of hetoroatoms to separate fragments in molecules #35

jokpreiksa opened this issue Mar 15, 2021 · 0 comments

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@jokpreiksa
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Hello,
I have encountered some issues when fragmenting organic crystals. If my molecule has hetero-atoms with Z=9,35,17 it is automatically being assigned to a different fragment. Is there a way to counter this issue?

KInd regards,
J.P
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@jokpreiksa