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
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