Hi Pablo Have a look at the BO2mol subroutine in https://github.com/jensengroup/xyz2mol/blob/master/xyz2mol.py
Best regards, Jan On 2 Dec 2019, at 10.58, Pablo Ramos <pablo.ra...@covestro.com<mailto:pablo.ra...@covestro.com>> wrote: Hello everybody, Bond Order matrices represent the connectivity between atoms in a molecule. Single bonds are represented with value equal to 1, double bonds with value equal to 2, etc. Does anybvody know about an implementation in RDKit that allows the convertion from Bond Order matrix format to SMILES format? Thank you. Best regards, Pablo Ramos Ph.D. at Covestro Deutschland AG <image003.png> covestro.com<http://www.covestro.com/> Telephone +49 214 6009 7356 Covestro Deutschland AG COVDEAG-Chief Commer-PUR-R&D-EMEA-PMD B103, R164 51365 Leverkusen, Germany pablo.ra...@covestro.com<mailto:pablo.ra...@covestro.com> The processing of personal data is necessary to communicate and provide our services. Read more here: privacy-information<https://www.covestro.com/-/media/covestro/country%20sites/global/documents/Data_Privacy_Note%202018_EN>. Please manually add the sentence in your language here. Please make sure that this link is not lost when the sentence is transferred (Copy --> Paste --> “Merge Formatting”). _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net<mailto:Rdkit-discuss@lists.sourceforge.net> https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
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