Thank you very much. You understand me exactly! Its perfect!
Now im just wondering how i could make the command line prompt for openbabel: obabel -ismi - testfile.smi -omol -m O output.mol into a pyhton script. That would make everything much much faster and easier. import pybel mymol = list(pybel.readfile("smi","testfile.smi")).next # and heres my problem mymol.write('mol','output1.mol') #my problem: How do i can call the other molecules in the file besides the first one? -- View this message in context: http://forums.openbabel.org/one-input-file-multiple-output-files-tp4254723p4261260.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Ridiculously easy VDI. With Citrix VDI-in-a-Box, you don't need a complex infrastructure or vast IT resources to deliver seamless, secure access to virtual desktops. With this all-in-one solution, easily deploy virtual desktops for less than the cost of PCs and save 60% on VDI infrastructure costs. Try it free! http://p.sf.net/sfu/Citrix-VDIinabox _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss