Hello, I am an animator and am in need of a molecule with orbital information to use as an artistic reference. If anyone could help me that would be great. Initially I was using the vitamin C .fchk file that comes with avagadro, however it doesn't quite do the job.
I am trying to visualise a lipid(from a lipid membrane) for which I have pdb and trajectory data for. Unfortunately I do not have any experience using gaussian or similar programs. Does anybody have a .fchk file for a simple saturated and unsaturated hydrocarbon…? Or know where I could locate example fchk files. Also, is it possible to export the orbitals from Avagadro as geometry files? Many thanks, Charles ______________________________________________________________________ The information in this email is confidential and intended solely for the addressee. You must not disclose, forward, print or use it without the permission of the sender. ______________________________________________________________________ ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
