Hi Greg,
I am learning Open3D ALIGN
example code:
pyO3A = rdMolAlign.GetO3A(mol2py, mol1)
pyO3A.Align()
Questions
- what is the meaning of the value from O3A.Align()
- is that similar to atom wise RMSD?
-
- what is the meaning of the value from O3A.Score()
- only an online tutorial presented the Score
- ~ open3dqsar.org > Downloads > Open3DTOOLS tutorial 20130812
<http://open3dqsar.org/downloads/Open3DTOOLS_tutorial_20130812.pdf>
-
- Best Regards
-
-
- Zhenting
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