On Mon, Apr 23, 2012, kureeckal ramesh wrote:
> (i) 1A4H_gelda.pdb
The error message here is reasonably self-explanatory:
Loading PDB file: ./1A4H_gelda.pdb
-- residue 215: duplicate [C] atoms (total 29)
-- residue 215: duplicate [H] atoms (total 40)
-- residue 215: duplicate [N] atoms (total 2)
-- residue 215: duplicate [O] atoms (total 9)
Warning: Atom names in each residue should be unique.
It looks like the atom names in the PDB file and the atom names in your
library are not the same. You need to fix this.
....dac
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Received on Mon Apr 23 2012 - 10:00:03 PDT
