An open library for the analysis of molecular dynamics trajectories
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Updated
Aug 20, 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
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.
Molecular Dynamics Simulation of Alanine Dipeptide and Dihedral Angle Analysis
a set of classes and submodules to build, manipulate and analyse three-dimensional protein structures.
Protein folding with local propensity using GA
This script aims at reading a given PDB file and generation dihedral angles from it.
Python script to find all instances of an amino acid sequence motif in protein structures and parse their internal coordinates
A coarse grained circular statistical tool that allows us to estimate the role of local and nonlocal factors in determining both the secondary and tertiary structure of globular proteins.
A python tool for Classification of ligand conformations based on Torsion angles
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