Hello everybody! I'd like to do conformational search with Avogadro and do further work with the output file. My problem is that I can't get the output file. I only can see the results as pictures when I choose a confermer under "view/properties/confomer properties" and the cartesian coordinates under "structure/cartesian coordinates editor"
You would help me a lot if you could tell me how to get the files with the cartesian coordinates for every conformer. If you have a hint how to eliminate conformers that are doubled in the list this would be wonderful, too. Thanks a lot, Laura ------------------------------------------------------------------------------ All the data continuously generated in your IT infrastructure contains a definitive record of customers, application performance, security threats, fraudulent activity and more. Splunk takes this data and makes sense of it. Business sense. IT sense. Common sense. http://p.sf.net/sfu/splunk-d2d-oct _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
