Re: [Open Babel] naming of pictures

2017-12-28 Thread Geoffrey Hutchison
> 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

[Open Babel] naming of pictures

2017-12-28 Thread Jiří Vedral
Hi, fantastic software users! I would like to get an advise, if I can name the PNG image file with the name of the formula in SDF. Fore example: I have SDF file starting with: ZINC40154034 -OEChem-11211413173D 60 62 0 1 0 0 0 0 0999 V2000 And I need a PNG file ZINC40154034.