An open library for the analysis of molecular dynamics trajectories
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Updated
May 17, 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
This script aims at reading a given PDB file and generation dihedral angles from it.
Protein folding with local propensity using GA
a set of classes and submodules to build, manipulate and analyse three-dimensional protein structures.
Python script to find all instances of an amino acid sequence motif in protein structures and parse their internal coordinates
A python tool for Classification of ligand conformations based on Torsion angles
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.
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