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MolStart molecule viewer for transmembrane proteins http://molstar.org

Árbore: 701166247e
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TmMolStar
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David Sehnal 701166247e working on mol-task %!s(int64=7) %!d(string=hai) anos
.vscode 9cf93363eb Data model for tables and schema %!s(int64=7) %!d(string=hai) anos
dist b12f11af03 renamed table to category, added File and Block classes, typed category and column objects %!s(int64=7) %!d(string=hai) anos
docs 6d59213c9d Tweaks %!s(int64=7) %!d(string=hai) anos
examples 780462e8ea multimodel parsing %!s(int64=7) %!d(string=hai) anos
src 701166247e working on mol-task %!s(int64=7) %!d(string=hai) anos
.gitignore 07c3377ddb started with gro reader %!s(int64=7) %!d(string=hai) anos
LICENSE a5405a509f Renamed to mol* %!s(int64=7) %!d(string=hai) anos
README.md 1d07b6a0dd renamed mol-comp to mol-task %!s(int64=7) %!d(string=hai) anos
molio.sublime-project 07c3377ddb started with gro reader %!s(int64=7) %!d(string=hai) anos
package-lock.json 4428feda3d updated packages %!s(int64=7) %!d(string=hai) anos
package.json 4428feda3d updated packages %!s(int64=7) %!d(string=hai) anos
rollup.config.js 2693d26dae Added computation "model" %!s(int64=7) %!d(string=hai) anos
tsconfig.json 3d29b7e4e8 working on mol-task %!s(int64=7) %!d(string=hai) anos
tslint.json 0393a7e9b6 Tweaks %!s(int64=7) %!d(string=hai) anos

README.md

License

  • general, non-opinionated library for reading and writing molecular structure related file formats
  • extending on the ideas of the CIFTools.js library

Module Overview

  • mol-task Computation abstraction with progress tracking and cancellation support.
  • mol-data Collections (integer based sets, inteface 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.
  • mol-model Data structures and algorithms (such as querying) for representing molecular data.
  • mol-ql Mapping of mol-model to the MolQL query language spec.
  • mol-util Useful things that do not fit elsewhere.

Building & Running

Build:

npm install
npm run build

Build automatically on file save:

npm run watch

Bundle with rollup (UMD and ES6)

npm run bundle

Make distribution files

npm run dist

Build everything above

npm run-script build && npm run-script bundle && npm run-script dist

Example script

Build

npm run script

Run

node ./build/js/script.js

TODO

  • write about unittest (AR)