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README.md

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    • README.md 4.83 KiB

    License Build Status Gitter

    Mol*

    The goal of Mol* (/'mol-star/) is to provide a technology stack that will serve as basis for the next-generation data delivery and analysis tools for macromolecular structure data. This is a collaboration between PDBe and RCSB PDB teams and the development will be open source and available to anyone who wants to use it for developing visualisation tools for macromolecular structure data available from PDB and other institutions.

    This particular project is a prototype implementation of this technology (still under development).

    Project Overview

    The core of Mol* currently consists of these modules:

    • mol-task Computation abstraction with progress tracking and cancellation support.
    • mol-data Collections (integer based sets, interface to columns/tables, etc.)
    • mol-math Math related (loosely) algorithms and data structures.
    • mol-io Parsing library. Each format is parsed into an interface that corresponds to the data stored by it. Support for common coordinate, experimental/map, and annotation data formats.
    • mol-model Data structures and algorithms (such as querying) for representing molecular data (including coordinate, experimental/map, and annotation data).
    • mol-model-props Common "custom properties".
    • mol-script A scriting language for creating representations/scenes and querying (includes the MolQL query language).
    • mol-geo Creating molecular geometries.
    • mol-gl A lightweight wrapper around WebGL.
    • mol-canvas3d A low level 3d view component. Uses mol-geo to generate geometries.
    • mol-state State representation tree with state saving and automatic updates.
    • mol-app Components for builduing UIs.
    • mol-plugin Allow to define modular Mol* plugin instances utilizing mol-state and mol-view3d.
    • mol-util Useful things that do not fit elsewhere.

    Moreover, the project contains the imlementation of servers, including

    • servers/model A tool for accessing coordinate and annotation data of molecular structures.
    • servers/volume A tool for accessing volumetric experimental data related to molecular structures.

    The project also contains performance tests (perf-tests), examples, and basic proof of concept apps (CIF to BinaryCIF converter and JSON domain annotation to CIF converter).