Yes, atoms are always added in file order. It would take a major change in rdkit to change/violate this.
---- Brian Kelley > On Jun 15, 2017, at 7:52 AM, Francois BERENGER > <beren...@bioreg.kyushu-u.ac.jp> wrote: > > Hello, > > If I read a molecule from a .sdf file, will the atom indexes be > conserved/preserved? > > 1st atom in the file will have index 0, > 2nd index 1, etc. > > And, will this always hold in the future? > Is this an invariant of rdkit? > > Thanks, > F. > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
