Thanks. I will try that. Sundar Thangapandian
> On Oct 19, 2017, at 6:40 PM, Geoffrey Hutchison <geoff.hutchi...@gmail.com> > wrote: > > The obminimize program does not have all the features of the obabel command. > You can naturally convert a PDB file to SDF: > > obabel file.pdb -O file.sdf > >> I tried -osdf filename.sdf and it didn't work. How can I get it in sdf >> format? >> Or how can I convert multimolecule pdb file to an sdf file? > > You can also use the --minimize flag with obabel to minimize molecules. > http://open-babel.readthedocs.io/en/latest/Command-line_tools/babel.html?highlight=minimize#forcefield-energy-and-minimization > > Hope that helps, > -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
