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mosaic
README.md

README.md

About MOSAIC

MOSAIC is a data model for molecular simulations. It defines how various quantities of importance in molecular simulations can be represented in terms of simple data structures (lists, trees, etc.). MOSAIC also defines concrete file formats for storing molecular simulation data. There are currently such file formats, one based on XML and the other one based on HDF5. See the MOSAIC Web site and in particular the MOSAIC specification for more information about MOSAIC.

About the MOSAIC Racket library

The MOSAIC Racket library implements an in-memory representation of MOSAIC data items in the Racket language, and provides I/O in the MOSAIC XML format. The HDF5 format is currently not supported, because there is no HDF5 interface for Racket at this time.

I wrote the MOSAIC Racket library for two reasons. First, I wanted to learn Racket. Second, I wanted to experiment with MOSAIC in the context of functional programming with immutable values. This is my first non-trivial Racket code, so don't expect it to be perfect. In particular, it is probably overengineered and uses more Racket features than it would have to. Remember that one of my goals was to learn Racket.

Since this is experimental code, I do not make any promise at this time to support it. In particular, I do not expect future versions of this library to be 100% compatible with the current one.

Installation

The package source for the Mosaic library is

git://github.com/mosaic-data-model/mosaic-racket?path=mosaic

Use this with DrRacket's package manager, or with the command-line tool raco. Watch out for the question mark in the package source. In a command-line shell, you have to put a backslash before it to prevent the shell from interpreting it inappropriately.

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