VMD TopoTools package. Version 1.10

Copyright (c) 2009,2010,2011,2012,2013,2014,2015,2016,2017,2018,2019,2020,2022,2023,2024,2025 by Axel Kohlmeyer akohlmey@gmail.com

This package contains contributed features from:

• Josh Vermaas (fully working gromacs topology files for CHARMM)
• Konstantin W (replicatemols for non-orthogonal cells)

New TopoTools Maintainers

After over 16 years, I have lost interest in developing and maintaining TopoTools. Jake Gissinger and Josh Vermass have volunteered to continue developing it. The new home of TopoTools is https://github.com/NanoCIPHER-Lab/topotools

Overview

TopoTools is a plugin for VMD providing a collection of Tcl commands to manipulate, build, read and write topologies (i.e. bonds, angles, dihedrals, etc. and their corresponding properties (type, order, etc.).

Updates

The public git repository is at https://github.com/akohlmey/topotools

TopoTools version 1.10 is the final release created by me. I have no more plans to further develop and maintain this package. It is therefore available for "adoption". Please contact me via email or PM if you want to take over.

Installation

TopoTools is written entirely in the Tcl scripting language for use as a plugin with VMD. A version of TopoTools is already bundled with VMD, to update it with the newer, downloaded version unpack the TopoTools archive, which will create a directory containing that various Tcl script files. If the directory is not named topotools1.10, please rename it accordingly. Now, find the plugin folder in your VMD installation where it already has a topotools1.x directory and move the folder with the new version next to it. If it already has the topotools1.10 folder, overwrite the files inside with the new version. VMD should use the new version automatically at the next start.