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.


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

Reply via email to