An open library for the analysis of molecular dynamics trajectories
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Updated
Dec 11, 2024 - Python
An open library for the analysis of molecular dynamics trajectories
Convert XYZ data to bond lengths & angles, calculate contacts, planes and dihedral angles and print tables
Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis
Program to plot a Ramachandran plot of all dihedral angles from a given PDB file. Background is empirically generated from the peptides in the Top8000 PDB data set.
a set of classes and submodules to build, manipulate and analyse three-dimensional protein structures.
A python tool for Classification of ligand conformations based on Torsion angles
Python script to find all instances of an amino acid sequence motif in protein structures and parse their internal coordinates
This script aims at reading a given PDB file and generation dihedral angles from it.
An autoencoder designed for dimensionality reduction of a protein structure's feature space that describes the structural environment of an amino acid by looking at the relative relative positions, orientations and dihedral angles of neighbouring residues in Euclidean space.
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