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

ИН на ревизия: f2b655ea7c
Клонове Маркери
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. преди 7 години
.vscode 9cf93363eb Data model for tables and schema преди 7 години
dist b12f11af03 renamed table to category, added File and Block classes, typed category and column objects преди 7 години
docs 6d59213c9d Tweaks преди 7 години
examples 8ff8156d0f Merge branch 'master' into mol2-2 преди 7 години
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. преди 7 години
.gitignore 07c3377ddb started with gro reader преди 7 години
LICENSE a5405a509f Renamed to mol* преди 7 години
README.md 1d07b6a0dd renamed mol-comp to mol-task преди 7 години
molio.sublime-project 07c3377ddb started with gro reader преди 7 години
package-lock.json 8d9604edf2 domain annotation server (prototype) преди 7 години
package.json 8d9604edf2 domain annotation server (prototype) преди 7 години
rollup.config.js 2693d26dae Added computation "model" преди 7 години
tsconfig.json 1d07b6a0dd renamed mol-comp to mol-task преди 7 години
tslint.json 0393a7e9b6 Tweaks преди 7 години

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)