Hello,
Is there a way to keep the information about the angles, distances and dihedral angles in a 3D fingerprint?
Thanks,
Zied
Hi Zied,
Which fingerprints are you working with?
In general, you could calculate dihedral angles using Python Snippet node and RDKit.
Hope it helps.
Best,
Daria
Hi Daria,
I am looking for any 3D fingerprint that can be converted back to the original 3D structure.
Thanks,
Zied