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[WSS24] Modeling of interactions in aqueous electrolyte with peptide additive

Posted 4 months ago

POSTED BY: Xuelian Liu
3 Replies

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.

POSTED BY: Xuelian Liu

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POSTED BY: EDITORIAL BOARD
Posted 27 days ago

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.

POSTED BY: Arun Sharma
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