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

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David Sehnal 6d59213c9d Tweaks 7 years ago
.vscode 9cf93363eb Data model for tables and schema 7 years ago
dist b12f11af03 renamed table to category, added File and Block classes, typed category and column objects 7 years ago
docs 6d59213c9d Tweaks 7 years ago
examples 780462e8ea multimodel parsing 7 years ago
src 6d59213c9d Tweaks 7 years ago
.gitignore 07c3377ddb started with gro reader 7 years ago
LICENSE 5e91cff080 fixed license 7 years ago
README.md 135635ac06 Changed data model, updated GRO parser to handle velocities, arbitrary precision, multiple models 7 years ago
molio.sublime-project 07c3377ddb started with gro reader 7 years ago
package-lock.json b50dbbc2e5 Updated to TS 2.6 7 years ago
package.json 40a35dea8e More refactoring, fixed jest 7 years ago
rollup.config.js 2693d26dae Added computation "model" 7 years ago
tsconfig.json dbf67afdce Fixed module resolution (no more ../../../../../) 7 years ago
tslint.json 07c3377ddb started with gro reader 7 years ago

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

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)