Hi, I have a question regarding NAB in Ambertools 12.
I am able to load in a .pdb file as a molecule, but how do I access the
data of the individual atoms, such as the attributes in 15.3.2 of the
manual (atomname, atomnum, etc)? I'm missing something like a "foreach" or
"find atom" function that would allow me to work with individual atoms of
the molecule. This seems like it should be fairly simple, am I missing
something?
Daniel Leclerc
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Received on Wed Jul 17 2013 - 16:30:03 PDT
