Skip to content
Snippets Groups Projects
Commit 2aa188d3 authored by David Sehnal's avatar David Sehnal
Browse files

Merge branch 'master' into mol-script

parents dd9a5eeb 63986eab
No related branches found
No related tags found
No related merge requests found
...@@ -16,9 +16,18 @@ The core of Mol* currently consists of these modules: ...@@ -16,9 +16,18 @@ The core of Mol* currently consists of these modules:
- `mol-math` Math related (loosely) algorithms and data structures. - `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-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` 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. - `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). 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 ## Previous Work
...@@ -34,14 +43,24 @@ This project builds on experience from previous solutions: ...@@ -34,14 +43,24 @@ This project builds on experience from previous solutions:
## Building & Running ## Building & Running
### Build: ### Build:
npm install npm install
npm run build npm run build
### Build automatically on file save: ### 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 watch
npm run script npm run watch-extra
npm run watch-viewer
## Contributing ## Contributing
Just open an issue or make a pull request. All contributions are welcome. Just open an issue or make a pull request. All contributions are welcome.
......
- Have the ability to define schemas for output.
Define properties for each pattern/whatever that could be exported as CIF/CSV/JSON.
\ No newline at end of file
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment