Hi Everybody
Here is the coordinates due to which I am facing error
ATOM 48 N LYS A 7 10.836 11.349 76.846 1.00
26.10 N
ATOM 49 CA ALYS A 7 11.241 10.032 76.334 0.50
25.70 C
ATOM 50 CA BLYS A 7 11.175 10.023 76.293 0.50
27.91 C
ATOM 51 C LYS A 7 11.870 10.170 74.946 1.00
26.84 C
ATOM 52 O LYS A 7 12.838 9.464 74.620 1.00
25.50 O
ATOM 53 CB ALYS A 7 10.045 9.060 76.241 0.50
26.11 C
ATOM 54 CB BLYS A 7 9.893 9.212 76.013 0.50
27.90 C
ATOM 55 CG ALYS A 7 9.467 8.566 77.587 0.50
20.67 C
ATOM 56 CG BLYS A 7 9.580 8.063 76.974 0.50
34.33 C
ATOM 57 CD ALYS A 7 8.100 7.877 77.405 0.50
23.97 C
ATOM 58 CD BLYS A 7 8.235 7.421 76.606 0.50
37.45 C
ATOM 59 CE ALYS A 7 8.096 6.840 76.276 0.50
20.73 C
ATOM 60 CE BLYS A 7 8.401 5.945 76.287 0.50
33.37 C
ATOM 61 NZ ALYS A 7 6.729 6.344 75.950 0.50
25.73 N
error occur due to these coordinates of residue 7
this error message showed when I load the pdb file in the tleap
Loading PDB file: ./4iae.pdb
-- residue 7: duplicate [ CA] atoms (total 2)
-- residue 7: duplicate [ CB] atoms (total 2)
-- residue 7: duplicate [ CD] atoms (total 2)
-- residue 7: duplicate [ CE] atoms (total 2)
-- residue 7: duplicate [ CG] atoms (total 2)
-- residue 7: duplicate [ NZ] atoms (total 2)
Warning: Atom names in each residue should be unique.
(Same-name atoms are handled by using the first
occurrence and by ignoring the rest.
Frequently duplicate atom names stem from alternate
conformations in the PDB file.)
How I can make changes in the name of these duplicate residues to remove
this error. the pdb file is downloaded from pdb.
Kind Regards
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Received on Fri Oct 27 2017 - 11:30:02 PDT
