Hi Modellers,
I ran into a problem with PDB file 1j9n, which contains HSE residues.
Each HSE line starts with "HETATM". However, when I read them into MODELLER,
MODELLER thinks HSEs are ATOMs.
env = environ()
env.io.hydrogen = False
env.io.hetatm = True
mdl = model(env)
mdl.read(file = '1j9n.pdb')
for chain in mdl.chains:
for residue in chain.residues:
if residue.name=='HSE': print residue.name, residue.hetatm
...
<Residue 16:C (type HSE)> False
...
Does anyone know what is happening here?
Where can I find MODELLER's lists/libraries of HETATM/ATOM residue types?
Thank you.
Yingjie