Warning: this repo is actively developed, APIs, functions, and documentation might change abruptly
Small python library to compute the Gaussian entanglement (generalization of the linking number) on open and single polymer chain. Its purpose is to compute entanglement within single protein chains, starting from a PDB file or a simulation trajectory.
Originally introduce with the work Entangled Motifs in Membrane Protein Structures (2023).
Documentation introduce on how to install the library and use it. A contribution part is also available for those willing to help improve and shape the project.
v0.8.9