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.

Getting Started

To build:

    ./configure
    make

To run tests:

    make check

To install:

    make install

Building requires:

    boost headers (for shared_ptr)

If you don't have a configure file, run 'sh autogen.sh' first. This requires:

    autoconf
    automake
    libtool