Hi, In order for that to work, you need to embed structural information the png-file in the first step. Open Babel is not able to do “chemical OCR”. obabel -:"NC(SC)=N" -o png -O output.png -xO molfile
Kind regards, Fredrik On 24 Sep 2019, 22:59 +0200, Ryan Bannen <ryan.ban...@nimbletherapeutics.com>, wrote: > Hello all, > > I installed Open Babel via conda on my Linux workstation and have been > enjoying what it can do. I do have a question regarding png files however: > > I was please to find that the following command: > > obabel -:"NC(SC)=N" -o png -O output.png > > will create a nice png file of the provided SMILES string. > > From looking at the available formats when typing obabel -L formats it would > appear that png is an acceptable -input- format and that SMILES would be an > acceptable -output- format. However, when I type: > > obabel output.png -i png -o smi -O output.smi > > Open Babel will tell me that it converted 1 molecule, but output.smi will be > a file with 0 bytes. > > Can Open Babel actually extract SMILES information from provided png files or > should I go investigate programs like osra or CLiDE instead? > > Thank you very much, > > Ryan > -- > Ryan Bannen, PhD > Senior Bioinformatics Scientist > > Nimble Therapeutics, Inc. > 500 S. Rosa Rd. > Madison WI, 53719 > www.nimbletherapeutics.com > > Confidentiality Note: This message is intended only for the use of the named > recipient(s) and may contain confidential and/or proprietary information. If > you are not the intended recipient, please contact the sender and delete this > message. Any unauthorized use of the information contained in this message is > prohibited. > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
