This is a javascript package for rendering SDF chemical structure files as SVGs.

sdftosvg is built with PubChem SDF files in mind, because PubChem includes extra helpful annotations in their structure files.

$ sdftosvg ./input.sdf ./output.svg

  Usage: convert [options] <input> <output>

  Options:

    -h, --help                     output usage information
    -V, --version                  output the version number
    -w, --width <n>                Output width
    -h, --height <n>               Output height
    -b, --background <background>  Background color

var renderer = require('sdftosvg');

// Convert SDF as string to SVG
var fs = require('fs');
var sdf = fs.readFileSync('./pcb-138.sdf');
renderer.renderSdfToSvg(sdf, {}, function(svg) {
  console.log(svg);
});

// Convert SDF file to SVG file
renderer.renderSdfToSvgFile('./pcb-138.sdf', './pcb-138.svg');

renderSdfToSvg(sdf, options, callback)

Renders an SDF string to an SVG string.

• sdf: string containing SDF file contents
• options: options object, defined below
• callback: function called after rendering that is given output SVG as a string

renderSdfToSvgFile(inputFile, outputFile, options)

Renders an SDF file to an SVG file.

• inputFile: path to input SDF file
• outputFile: path to save output SVG file
• options: options object, defined below

The options object can contain the following keys:

• width: output width, in pixels

• height: output height, in pixels

• atomRadius: radius of atom circles

• bondStrokeWidth: stroke width of bond lines

• backgroundColor: background color

• colors: object mapping chemical abbreviations to colors. By default, sdftosvg uses the JMol color scheme. For example, to override:

  {
    "C": "red",
    "O": "blue",
    "H": "green"
  }

A number of features remain to be added:

• Allow specifying custom color scheme on the command line.
• Allow further customization of output