I start to work in computational chemistry and I use as imput file of my
algorithm a pdb standard format, I need all atoms for my calculation
(also hydrogens), but frequently the examples I found are without
hydrogens. I have used the command h_add and it works: it add hydrogens,
but the names are diffrent from the standard pdb format. I explain in
pdb format the name of hydrogen depends on the position that it has in
the aminoacyd structure ( for example 1HB is the first hydrogen linked
to C-beta , but if I add hydrogens with h_add I obtain a sequence of
hydrogens labeled as H01,H02,...
Is it possible to obtain labels in standard pdb format?
Thank you very much,
Bernardetta Addis
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