On Jun 29, 2011, at 8:36 PM, Ruggero Gabbrielli wrote: > Hi, I don't sem to be able to add hydrogen to a graphene patch. Is this a > known issue?
Can you define the problem? It takes a long time? It completes, but doesn't add H atoms where you expect? What version of OB are you using? What OS? But I've definitely added H atoms to graphene and large nanotubes without much problem. Graphene and related compounds will take a lot of time, since OB needs to determine aromaticity and Kekule bond assignment. Best regards, -Geoff ------------------------------------------------------------------------------ All of the data generated in your IT infrastructure is seriously valuable. Why? It contains a definitive record of application performance, security threats, fraudulent activity, and more. Splunk takes this data and makes sense of it. IT sense. And common sense. http://p.sf.net/sfu/splunk-d2d-c2 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
