> I am studying peptides between 14 and 18 aa in length in various > conformations. The isosurfaces produced by MolIso (www.moliso.de) seem like > an informative way to present the data, but the program runs out of memory > and crashes on these structures. Could anyone here recommend a good way to > view results from obprobe?
These are standard Gaussian "cube" files. Many programs, particularly those handling quantum calculations should handle these just fine. For example, you could try the Avogadro package, developed by some of the Open Babel developers: http://avogadro.openmolecules.net/ Cheers, -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
