On 2017-03-02 04:37, Guillaume GODIN wrote: > Based on the precision of the coordinates (in rdkit sdf files it's 4 > digits) can we infer the precision on the PBF value based on that ?
Only if you *know* the values are actually accurate to 4 digits and not e.g. were printed as "%.4f" just because the programmer thought it was a "reasonable" mask. :( Dimitri ------------------------------------------------------------------------------ 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
