Dear Open Babel Users, I have run a relaxed potential energy dihedral scan in Gaussian03, and I am interested in extracting the twelve resulting optimized structures from my gaussian output file. Is there any way of doing this with Open Babel? I've tried a variety of commands, but every time I manage to extract only one structure, with the accompanying messages: "1 molecule converted 123 audit log messages"
Thanks in advance. Best regards, Åge Aleksander Skjevik, Department of Biomedicine, University of Bergen, Norway ------------------------------------------------------------------------------ The Palm PDK Hot Apps Program offers developers who use the Plug-In Development Kit to bring their C/C++ apps to Palm for a share of $1 Million in cash or HP Products. Visit us here for more details: http://p.sf.net/sfu/dev2dev-palm _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
