PoreMatModGO

To make PoreMatMod.jl more accessible, an express graphical interface, PoreMatModGO, is provided. The PoreMatModGO interface, built on Pluto.jl, enables interactive application of chemical substructure find/replace operations with minimal setup and no code provided by the user.

Follow the steps in Getting Started.

Then, add the required dependencies and launch Pluto.jl:

pkg> add Pluto, PlutoUI, Bio3DView
julia> using Pluto
julia> Pluto.run()

Pluto should launch in a new tab in your default web browser.

Load PoreMatModGO.jl by copying and pasting the URL below into the "Open from file" box on the Pluto main page.

https://raw.githubusercontent.com/SimonEnsemble/PoreMatMod.jl/master/src/PoreMatModGO.jl

Prepare file inputs per the manual and load them into PoreMatModGO using the graphical interface. All replacement modes are available with interactive visual previews and outputs are downloadable in .cif, .xyz, and .vtk file formats.