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

David Sehnal 7431964b63 one more trim fix 7 yıl önce
.vscode 9cf93363eb Data model for tables and schema 7 yıl önce
dist b12f11af03 renamed table to category, added File and Block classes, typed category and column objects 7 yıl önce
examples 75366fab06 gro, added example files 7 yıl önce
src 7431964b63 one more trim fix 7 yıl önce
.gitignore 07c3377ddb started with gro reader 7 yıl önce
LICENSE 5e91cff080 fixed license 7 yıl önce
README.md 3966737075 updated readme with todo 7 yıl önce
molio.sublime-project 07c3377ddb started with gro reader 7 yıl önce
package.json b12f11af03 renamed table to category, added File and Block classes, typed category and column objects 7 yıl önce
rollup.config.js b12f11af03 renamed table to category, added File and Block classes, typed category and column objects 7 yıl önce
tsconfig.json 07c3377ddb started with gro reader 7 yıl önce
tslint.json 07c3377ddb started with gro reader 7 yıl önce

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)
  • gro reader
    • read more than one block
    • read velocities
    • detect number of decimal places