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Congratulations on accomplishing this impressive work! The MoleculeComplex appears to be such a useful function — do you plan to release this and associated functions as ResourceFunctions? They would truly increase the capabilities of the Wolfram language.
Thank you! The functionality has now been developed into a MoleculeComplex paclet with additional features. You can install it by following the steps below:
First, install the paclet by the code below:
PacletInstall[“RobertNachbar/MoleculeComplex”]
Next, load the paclet by the code below:
Needs[“RobertNachbarMoleculeComplex”]
Note that there should be backtick before and after MoleculeComplex for Needs.
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