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README.md 6.04 KiB

License npm version 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 the implementation of this technology (still under development).

If you are looking for the "MOLeculAR structure annoTator", that package is now available on NPM as MolArt.

Project Overview

The core of Mol* currently consists of these modules (see under src/):

  • 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-formats Data format parsers for mol-model.
  • 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-theme Theming for structure, volume and shape representations.
  • mol-repr Molecular representations for structures, volumes and shapes.
  • mol-gl A 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-canvas3d.
  • 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.