On 7/5/2018 1:39 PM, Paolo Tosco wrote:
As the PDB format includes no stereochemistry, no coordinates are needed, and by default they are zero, as the molecule does not have a conformation yet.
Hmm. One could argue that PDB format *is* 3D coordinates, so a block with all zeroes is quite pointless. And of course counter-intuitive.
Dima ------------------------------------------------------------------------------ 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 [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
