I want to run QM calculation on reaction center of a large protein. So I
need to chop off many parts of the protein. I want to replace some
side/main chains with H atoms (for example replace the CB atom by a H atom
and also modify the C-H bond to the correct length).
I know how to make it work by clicking the build panel. But is there a way
I can write a script to make this happen? Thanks?
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