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

Albero (Tree): f2b655ea7c
Rami (Branch) Tag
TmMolStar
ZIP TAR.GZ
Zepei Xu f2b655ea7c Used TokenColumns. Read first line to determine which column is missing. Read each value at a time and add start and end indices to corresponding tokens. There is an error about async wait of handleAtoms and handlebonds Funcitons because they don't have async functions inside them and maybe they don't return Promises anymore. Used to use readLinesAsync which is a async function. But now use skipWhitespace and eatValue, which don't have async versions. 7 anni fa
.vscode 9cf93363eb Data model for tables and schema 7 anni fa
dist b12f11af03 renamed table to category, added File and Block classes, typed category and column objects 7 anni fa
docs 6d59213c9d Tweaks 7 anni fa
examples 8ff8156d0f Merge branch 'master' into mol2-2 7 anni fa
src f2b655ea7c Used TokenColumns. Read first line to determine which column is missing. Read each value at a time and add start and end indices to corresponding tokens. There is an error about async wait of handleAtoms and handlebonds Funcitons because they don't have async functions inside them and maybe they don't return Promises anymore. Used to use readLinesAsync which is a async function. But now use skipWhitespace and eatValue, which don't have async versions. 7 anni fa
.gitignore 07c3377ddb started with gro reader 7 anni fa
LICENSE a5405a509f Renamed to mol* 7 anni fa
README.md 1d07b6a0dd renamed mol-comp to mol-task 7 anni fa
molio.sublime-project 07c3377ddb started with gro reader 7 anni fa
package-lock.json 8d9604edf2 domain annotation server (prototype) 7 anni fa
package.json 8d9604edf2 domain annotation server (prototype) 7 anni fa
rollup.config.js 2693d26dae Added computation "model" 7 anni fa
tsconfig.json 1d07b6a0dd renamed mol-comp to mol-task 7 anni fa
tslint.json 0393a7e9b6 Tweaks 7 anni fa

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)