search

kjappelbaum / moffragmentor

Split a MOF into its building blocks.
https://moffragmentor.readthedocs.io/en/latest/
MIT License
20 stars 0 forks source link

make net also work for "MOFs" without linker #100

Open kjappelbaum opened 2 years ago

kjappelbaum commented 2 years ago

WHISUD is such an example, for which we should get ecu

kjappelbaum commented 2 years ago
Screen Shot 2022-07-27 at 08 24 16

currently, we get the full thing as node and do not even get the Hs on the COO

kjappelbaum commented 2 years ago

so, the current work around would work if we would find all correct branching indices