Hi everybody,
I'm trying to run antechamber on a ligand pdb file (Hs and charges already added). The ligand is an unsaturated aliphatic aldehyde (13 carbon atoms).
Antechamber rejects the ligand on account of wrong connectivity
13 is not a valid atom id in CONECT 13 12 11 10
I have checked the connectivity and looks OK to me.
I'm attaching the ligand pdb with connectivities. Your help would be greatly appreciated. It seems to me a trivial problem but I'm really stuck at the moment.
Thanks in advance
George
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- application/octet-stream attachment: lig.pdb
Received on Wed Jan 28 2009 - 01:12:30 PST
