> I would like to get an advise, if I can name the PNG image file with the name
> of the formula in SDF.
...
> And I need a PNG file ZINC40154034.png
You can't do this directly with the obabel command-line program, but you can do
this pretty easily in Python:
http://open-babel.readthedocs.io/en/latest/UseTheLibrary/PythonExamples.html#split-an-sdf-file-using-the-molecule-titles
<http://open-babel.readthedocs.io/en/latest/UseTheLibrary/PythonExamples.html#split-an-sdf-file-using-the-molecule-titles>
You'd want something like this:
import pybel
for mol in pybel.readfile("sdf", "bigmol.sdf"):
mol.write("png", "%s.png" % mol.title)
Replace the "for mol" loop as appropriate (e.g., use the "glob" python module
to loop through file names).
Hope that helps,
-Geoff------------------------------------------------------------------------------
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