TmMolStar/README.md

• 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