Hello, I´m using the obchiral tool to assign R/S configuration. However, I had doubts in the output of the obchiral. What is the meaning "Atom4refs"? Is it the ordered list that is entered into a Molfile based in PLR (Petrarca, Lynch and Rush) priorities? And the parity value is assign 1, when the four ligands in the ordered list are arranged clockwise. Otherwise it is 0. It is true?
Thank you. Regards, Florbela Pereira Assistant Researcher Chemistry Department Faculty of Science and Technology New University of Lisbon Portugal Tel: +351212948300 (ext 10994) Fax: +351212948550 ------------------------------------------------------------------------------ Throughout its 18-year history, RSA Conference consistently attracts the world's best and brightest in the field, creating opportunities for Conference attendees to learn about information security's most important issues through interactions with peers, luminaries and emerging and established companies. http://p.sf.net/sfu/rsaconf-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
