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Windows (MSVC) Ubuntu 22.04 (GCC 11) Ubuntu 24.04 (GCC 13) MacOS (Clang)

mdlib

Molecular Dynamics Library

Collection of utilities and procedures for processing molecular dynamics data.

script

Scripting language for defining selections, computing properties and evaulating expressions.

gl

OpenGL draw functionality for drawing moleculecules under different representations.

util

Utilities for computing secondary structures, com, rmsd, internal reference frame (rotation), covalent bonds, etc.

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MDLIB: Molecule Dynamics Library

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