Thanks, Geoff. Steve ----- Original Message ----- From: Geoffrey Hutchison <geo...@pitt.edu> Date: Sunday, January 29, 2012 4:14 pm Subject: Re: [Avogadro-Discuss] save conformational search To: avogadro-discuss@lists.sourceforge.net
> > source of initial structures for subsequent work. Is there a way > to do this? The xyz format would be handy, with > > the MM energy in the text label line for a multiple structure file. > > Yes, a few people have asked for this feature, but it's not > implemented yet. I'll add it to my ToDo list, since a colleague > here is bugging me about it too. > > -Geoff > > --- > Prof. Geoffrey Hutchison > Department of Chemistry > University of Pittsburgh > tel: (412) 648-0492 > email: geo...@pitt.edu > web: http://hutchison.chem.pitt.edu/ > > > -------------------------------------------------------------------- > ---------- > Try before you buy = See our experts in action! > The most comprehensive online learning library for Microsoft > developersis just $99.99! Visual Studio, SharePoint, SQL - plus > HTML5, CSS3, MVC3, > Metro Style Apps, more. Free future releases when you subscribe now! > http://p.sf.net/sfu/learndevnow-dev2 > _______________________________________________ > Avogadro-Discuss mailing list > Avogadro-Discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/avogadro-discuss > ------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2 _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
