Hi Santrupti,
In Chemoinformatics "heavy atoms" are all non-hydrogen atoms. In
crystallography, "heavy atoms" could mean the atoms used for experimental
phasing, like selenium.
I hope these examples answer your questions:
# non-hydrogen RMSD
align prot1 & not hydro, prot2 & not hydro, cycles=0
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Hi all,
what's the best way to show a hydrogen bond to a backbone atom in the following
scenario:
Protein shown as cartoon, ligand as sticks, binding site residues (within 5A of
ligand) shown as lines, and sidechain help is on.
If the ligand forms a hydrogen bond with a backbone atom, the dash