1 Sep
2011
1 Sep
'11
8:12 p.m.
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 - Yingjie