Question

How to find number of water molecule from the pdb file?

Answer 1

Answer:

Aromatic Bond Count, 0. Leaving Atoms, n/a . As a chemical compound, a water molecule contains one oxygen and two hydrogen atoms that are connected by covalent bonds.

Answer 2

Answer:

In the PDB data file format for macromolecular models, each atom is designated either ATOM or HETATM (which stands for hetero atom). ... HETATM is applied to non-standard residues of protein, DNA or RNA, as well as atoms in other kinds of groups, such as carbohydrates, substrates, ligands, solvent, and metal ions.