> I noticed that gaussian input file (.com, .gjf) is not a readable format by > openbabel. I personally need this functionality quite a bit. Is this left out > intentionally? If not, I can add a new plugin for reading this format.
If you're interested in attempting this, I'd be happy to give you tips. Please do not set DEFAULTFORMAT - this is reserved. Take a look at other formats like xyzformat for handling "I want to read and write" - they don't override the base method. As David mentioned, no one has implemented input parsing because there are some truly weird input versions out there. Consider changes to isotopes, z-matrix, potential energy scans, fragments, .. It's possible, but by no means will it be easy. -Geoff ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
