The GLYCAM Molecular Modelling Library (GMML) assists in a variety of molecular modelling tasks, with a particular focus on carbohydrates. It works particularly well with the AMBER suite of molecular simulation programs.

Users of GMML can: * Read AMBER prep files * Read AMBER parameter sets * Read AMBER library (OFF) files * Read and write PDB files * Read and write AMBER topology files * Read and write AMBER coordinate files * Build residues and molecules using data from input files * Build residues and molecules manually * Build oligosaccharides easily with GLYCAM's simple carbohydrate nomenclature * Generate all possible conformations of a structure that adhere to a user-defined list of possible glycosidic torsions * Geometrically modify structures in a variety of ways * Solvate structures * Minimize structures through an interface with SANDER, AMBER's primary simulation program

GMML is the engine behind the new and improved GLYCAM web interface, currently being developed.

A scripting interface similar to AMBER's LEaP called gems is also in the works.

Getting Started

The README file contains instructions for building and installing GMML.

This wiki page has some sample GMML programs.

Documentation can be found in the header files.

Issues and Feature Requests

Post them here.

If it's discussion-oriented, use the discussion group.

Questions and Comments

Use the discussion group.