This repository is a mirror of the component module viatropos/mol-parser. It has been modified to work with NPM+Browserify. You can install it using the command npm install npmcomponent/viatropos-mol-parser. Please do not open issues or send pull requests against this repo. If you have issues with this repo, report it to npmcomponent.
node.js:
npm install mol-parserbrowser:
component install viatropos/mol-parservar mol = require('mol-parser');
var glucose = mol(theStringBelow);input:
1772-03-8.mol
ChemDraw06210908192D
12 11 0 0 0 0 0 0 0 0999 V2000
-1.8563 -0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6187 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0313 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6187 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2062 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 -0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 -1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8563 0.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4437 1.0717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 6
3 5 1 0
5 6 1 1
5 7 1 0
7 8 1 1
7 9 1 0
9 10 1 1
9 11 1 0
11 12 1 0
M END
output:
{ nodes:
[ { x: -1.8563, y: -0.3572, z: 0, symbol: 'O' },
{ x: -1.0313, y: -0.3572, z: 0, symbol: 'C' },
{ x: -0.6187, y: 0.3572, z: 0, symbol: 'C' },
{ x: -1.0313, y: 1.0717, z: 0, symbol: 'O' },
{ x: 0.2062, y: 0.3572, z: 0, symbol: 'C' },
{ x: 0.6187, y: 1.0717, z: 0, symbol: 'O' },
{ x: 0.6187, y: -0.3572, z: 0, symbol: 'C' },
{ x: 0.2062, y: -1.0717, z: 0, symbol: 'O' } ],
edges:
[ { source: 0, target: 1, count: 2 },
{ source: 1, target: 2, count: 1 },
{ source: 2, target: 3, count: 1 },
{ source: 2, target: 4, count: 1 },
{ source: 4, target: 5, count: 1 },
{ source: 4, target: 6, count: 1 },
{ source: 6, target: 7, count: 1 },
{ source: 6, target: 8, count: 1 },
{ source: 8, target: 9, count: 1 },
{ source: 8, target: 10, count: 1 },
{ source: 10, target: 11, count: 1 } ],
name: '1772-03-8.mol',
program: 'ChemDraw06210908192D' }- MIME type:
chemical/x-mdl-molfile
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