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read bonding network from cif file #5

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kjappelbaum opened this issue Jun 16, 2021 · 1 comment
Open

read bonding network from cif file #5

kjappelbaum opened this issue Jun 16, 2021 · 1 comment

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@kjappelbaum
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The hypothetical MOF generators usually have their bonding information in the CIF file.
We should read this info and use it to construct the structure graph as this is usually the most time-consuming step
@kjappelbaum
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there is already a parser in pormake, we can perhaps implement it in sturcturegraph-helper to make it reusable

@kjappelbaum kjappelbaum transferred this issue from kjappelbaum/mofchecker Jul 28, 2022
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@kjappelbaum