@@ -16,9 +16,18 @@ The core of Mol* currently consists of these modules:
-`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-ql` Mapping of `mol-model` to the [MolQL query language](https://molql.github.io) spec.
-`mol-script` A scriting language for creating representations/scenes and querying (includes the [MolQL query language](https://molql.github.io)).
-`mol-geo` Creating molecular geometries.
-`mol-gl` A wrapper around WebGL. Uses `mol-geo` to generate geometries.
-`mol-app` Components for builduing UIs.
-`mol-view` A reference viewer implementation.
-`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).
## Previous Work
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@@ -34,14 +43,24 @@ This project builds on experience from previous solutions:
## Building & Running
### Build:
npm install
npm run build
npm install
npm run build
### Build automatically on file save:
npm run watch
npm run watch
npm run watch-extra
### Build/watch mol-viewer
Build:
npm run build
npm run build-viewer
Watch:
### Run test script from src/script.ts
npm run script
npm run watch
npm run watch-extra
npm run watch-viewer
## Contributing
Just open an issue or make a pull request. All contributions are welcome.
