converting of chemical structures into graphical images
I am looking for tools to convert chemical structure files (preferably MDL
molfiles or Chemical markup Language) into graphic files. As an output
format
I am considering
a) vector graphics [Windows Metafile (WMF) or perhaps the new Stylable
Vector Graphics format (SVG)]
b) bitmaps (e.g JPEG)
I am aware that chemical structure drawing programmes like ISIS/Draw are
able to
do this interactively, but I would rather prefer having a tool which can be
started from the command line or within a script. It would also be nice
having
the source code available. The aim is not to generate rendered images, but
simple structure drawings.
Any information on such conversion tools would be appreciated.
I'll summarise the answers
Thanks
Ansgar
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Ansgar Schuffenhauer
aschuffenhauer (+ at +) icd-gmbh.de
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