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-- With best regards Dr. Shamoon Ahmad Siddiqui DBT Postdoctoral Fellow Molecular Biophysics Unit Indian Institute of Science Bangalore-560012, India trajin 2HT0_wat_1-5.binpos #-- Donors from standard amino acids donor mask :GLN.OE1 donor mask :GLN.NE2 donor mask :ASN.OD1 donor mask :ASN.ND2 donor mask :TYR.OH donor mask :ASP.OD1 donor mask :ASP.OD2 donor mask :GLU.OE1 donor mask :GLU.OE2 donor mask :SER.OG donor mask :THR.OG1 donor mask :HIS.ND1 donor mask :HIE.ND1 donor mask :HID.NE2 donar mask :DC.P donar mask :DC.O1P donar mask :DC.O2P donar mask :DC.O5' donar mask :DC.O4' donar mask :DC.N1 donar mask :DC.N4 donar mask :DC.N3 donar mask :DC.O2 donar mask :DC.O3' donar mask :DG.P donar mask :DG.O1P donar mask :DG.O2P donar mask :DG.O5' donar mask :DG.O4' donar mask :DG.N9 donar mask :DG.N7 donar mask :DG.O6 donar mask :DG.N1 donar mask :DG.N2 donar mask :DG.N3 donar mask :DG.O3' donar mask :DT.P donar mask :DT.O1P donar mask :DT.O2P donar mask :DT.O5' donar mask :DT.O4' donar mask :DT.N1 donar mask :DT.O4 donar mask :DT.N3 donar mask :DT.O2 donar mask :DT.O3' donar mask :DA.P donar mask :DA.O1P donar mask :DA.O2P donar mask :DA.O5' donar mask :DA.O4' donar mask :DA.N9 donar mask :DA.N7 donar mask :DA.N6 donar mask :DA.N1 donar mask :DA.N3 donar mask :DA.O3' #-- Acceptors from standard amino acids acceptor mask :ASN.ND2 :ASN.HD21 acceptor mask :ASN.ND2 :ASN.HD22 acceptor mask :TYR.OH :TYR.HH acceptor mask :GLN.NE2 :GLN.HE21 acceptor mask :GLN.NE2 :GLN.HE22 acceptor mask :TRP.NE1 :TRP.HE1 acceptor mask :LYS.NZ :LYS.HZ1 acceptor mask :LYS.NZ :LYS.HZ2 acceptor mask :LYS.NZ :LYS.HZ3 acceptor mask :SER.OG :SER.HG acceptor mask :THR.OG1 :THR.HG1 acceptor mask :ARG.NH2 :ARG.HH21 acceptor mask :ARG.NH2 :ARG.HH22 acceptor mask :ARG.NH1 :ARG.HH11 acceptor mask :ARG.NH1 :ARG.HH12 acceptor mask :ARG.NE :ARG.HE acceptor mask :HIS.NE2 :HIS.HE2 acceptor mask :HIE.NE2 :HIE.HE2 acceptor mask :HID.ND1 :HID.HD1 acceptor mask :HIP.ND1,NE2 :HIP.HE2,HD1 acceptor mask :DC.N4 :DC.H41 acceptor mask :DC.N4 :DC.H42 acceptor mask :DG.N1 :DG.H1 acceptor mask :DG.N2 :DG.H21 acceptor mask :DG.N2 :DG.H22 acceptor mask :DT.N3 :DT.H3 acceptor mask :DA.N6 :DA.H61 acceptor mask :DA.N6 :DA.H62 #-- Backbone donors and acceptors for this particular molecule # N-H for prolines do not exist so are not in the mask # donor mask .O acceptor mask :2-11,13-16,20.N :2-20.H #Terminal residues have different atom names donor mask .OXT acceptor mask :1.N :1.H1 acceptor mask :1.N :1.H2 acceptor mask :1.N :1.H3 #-- series hbt is just a placeholder to ensure we get the full analysis. If you don't #have the word series you don't get a full analysis. hbond print .05 series hbt Checking coordinates: 2HT0_wat_1-5.binpos WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o1p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o2p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o5'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o4'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.n1" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.n4" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.n3" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o2" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dc.o3'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o1p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o2p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o5'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o4'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.n9" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.n7" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o6" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.n1" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.n2" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.n3" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dg.o3'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o1p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o2p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o5'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o4'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.n1" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o4" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.n3" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o2" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":dt.o3'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.o1p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.o2p" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.o5'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.o4'" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.n9" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.n7" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.n6" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.n1" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.n3" not found in tokenlist WARNING in dispatchToken: Token string "donar" not found in tokenlist WARNING in dispatchToken: Token string "mask" not found in tokenlist WARNING in dispatchToken: Token string ":da.o3'" not found in tokenlist Segmentation fault