LINTools - dynamic representation of protein-ligand interactions

This is the first full release of LINTools (Ligand Interaction Network Tools). This script will analyse and display protein-ligand interactions from single frames or trajectories. Therefore, it is possible to view dynamic 3D data from molecular dynamics simulations in 2D static representation of ligand molecule and the surrounding residues. At the moment, LINTools will analyse occurrence of residues within cutoff and RMSF (root-mean-square fluctuation) of ligand atoms in the trajectory, as well as display hydrogen bonds. The LINTools Team

Related Organizations

University of Oxford
United Kingdom

Keywords

ligand interaction network, LINTools, Python

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