--- /usr/lib/python2.6/site-packages/Bio/PDB/DSSP.py.orig 2009-07-15 10:41:45.000000000 -0700 +++ /usr/lib/python2.6/site-packages/Bio/PDB/DSSP.py 2009-07-15 10:39:09.000000000 -0700 @@ -172,6 +172,10 @@ for key in dssp_keys: chain_id, res_id=key chain=model[chain_id] + # Unnatural amino acids have hetflag != ' ' so the resid + # doesn't work as expected + if res_id not in chain: + continue res=chain[res_id] aa, ss, acc=dssp_dict[key] res.xtra["SS_DSSP"]=ss