Hello everyone,
I am trying to build a code that can take input as a SMILES string of
chemical A and output a 3D coordinates of chemical B that aligns with
chemical A's 3D coordidates. I am searching through rdkit functions and
found AlignMol() which returns RMS value and AlignMolConformers()--I am not
sure what this function returns. Would you please help me to know which
functions I should use in order to achieve my purpose?
Thank you so much for your time and consideration.
Phuong Chau
------------------------------------------------------------------------------
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
