Molecule does not have explicit Hs. Consider calling AddHs()

Question

Molecule does not have explicit Hs. Consider calling AddHs()

Opened this issue 10 months ago · 1 comments

During my use of karmadock, there is a prompt: Molecule does not have explicit Hs. Consider calling AddHs(), what is the meanning of this prompt? Does it affect the result? If it affects the result, what should be done to fix it?

Answer 1 · 2023-11-18T12:14:44.000Z

I add "addHs=True" at the end of bracketed text in line 117, and the prompt don't appear any more.