ADL: halogens in .pdb files

yangyc@bii-sg.org yangyc at bii-sg.org
Thu Feb 10 08:52:51 PST 2005


Dear all,

the ligand pdb files i downloaded contain halogens. For example, the
section of one ligand's pdb file goes like this:

HETATM  23  O  UNK    0   17.137  -2.690   0.000  0.00  0.00       O+0
HETATM  24  C  UNK    0   17.907  -1.354   0.000  0.00  0.00       C+0
HETATM  25  O  UNK    0   15.597  -5.355   0.000  0.00  0.00       O+0
HETATM  26  C  UNK    0   17.137  -5.355   0.000  0.00  0.00       C+0
HETATM  27 Cl  UNK    0    2.907   0.872   0.000  0.00  0.00       Cl-1
CONECT    1    2  14
CONECT    2    1   3
CONECT    3    2    4  20
CONECT    4    3    5   21

so when i read this pdb file in ADT, it gives me error. i rename Cl to c,
error still occurs. anyone can spot anything wrong with this halogen?

thanks...

best regards,

yuchen



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