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kjappelbaum / moffragmentor

Split a MOF into its building blocks.
https://moffragmentor.readthedocs.io/en/latest/
MIT License
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check that we get `etb` for MOF-74 #25

Closed kjappelbaum closed 2 years ago

kjappelbaum commented 3 years ago

for some reason we do not get this, should exclude MOFs with non-0D SBUs for the moment

kjappelbaum commented 2 years ago

1D rod nodes do not work at the moment