re: converting of chemical structures into graphical images
- From: "E.L. Willighagen" <egonw "-at-"
sci.kun.nl>
- Subject: re: converting of chemical structures into graphical
images
- Date: Tue, 14 Mar 2000 17:36:10 +0100 (MET)
> I am looking for tools to convert chemical structure files (preferably MDL
> molfiles or Chemical markup Language) into graphic files. As an output
format:
> SVG, bitmap (JPEG)
> It would also be nice havingthe source code available.
If you are willing to do some programming: have a look at these two programs:
JMol (3D) or JChemPaint (2D). Both are opensource, written in Java, and have
CML import filter (one has MDL as well i think) and can export bitmaps...
Just pick the appropriate classes and glue them together...
the addresses are:
http://www.openscience.org/jmol/
and
http://www.ice.mpg.de/~stein/projects/JChemPaint/
Egon