molstar

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David Sehnal 050edf26e1 tweaked docs

2017-10-14 10:57:43 +02:00

.vscode

Data model for tables and schema

2017-09-21 16:22:08 +02:00

dist

renamed table to category, added File and Block classes, typed category and column objects

2017-09-13 21:01:31 -07:00

docs

tweaked docs

2017-10-14 10:57:43 +02:00

examples

BinaryCIF support

2017-10-03 15:39:28 +02:00

src

use schema created from dic to read mmcif data

2017-10-13 21:16:45 -07:00

.gitignore

started with gro reader

2017-09-01 19:26:32 -07:00

LICENSE

fixed license

2017-09-13 11:35:28 -07:00

molio.sublime-project

started with gro reader

2017-09-01 19:26:32 -07:00

package-lock.json

Added mol2 schema

2017-10-05 11:11:44 +02:00

package.json

sync/await for file reading

2017-10-13 20:47:04 -07:00

README.md

Changed data model, updated GRO parser to handle velocities, arbitrary precision, multiple models

2017-09-23 14:47:54 +02:00

rollup.config.js

Added computation "model"

2017-10-03 17:23:51 +02:00

tsconfig.json

Immediate scheduler

2017-10-04 11:55:03 +02:00

tslint.json

started with gro reader

2017-09-01 19:26:32 -07:00

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)