[Rdkit-discuss] (no subject)

[Phuong C. <pc...@sm...>]

Hello everyone,

I want to align chem B based on the 3D coordinates of chemical A and output
the 3D coordinates of chemical B (alignment that center of mass of chem B
is the same as chem A). I looked at the AlignMol() and Open3D align but it
returns either a RMS value or a score. Is there a way that I convert either
of these numbers to 3D coordinates?

Thank you so much for your time and consideration.

-- 
Phuong Chau