sqamara · February 8, 2016 20:00
diff --git a/br.pdb b/br.pdb
 HETATM    1  Br  Br      1       0.000   0.000   5.000  1.00  0.00
diff --git a/bromine_test.py b/bromine_test.py
 from simtk.openmm import app 
 pdb_file="./br.pdb"
    #HETATM    1  Br  Br      1       0.000   0.000   5.000  1.00  0.00
 pdb = app.PDBFile(pdb_file)
 for chain in pdb.topology.chains():
    for res in chain.residues():
        for atom in res.atoms():
            print(atom.element)
            # prints <Element boron>
	from simtk.openmm import app
	pdb_file="./br.pdb"
	#HETATM 1 Br Br 1 0.000 0.000 5.000 1.00 0.00
	pdb = app.PDBFile(pdb_file)
	for chain in pdb.topology.chains():
	for res in chain.residues():
	for atom in res.atoms():
	print(atom.element)
	# prints <Element boron>