but it distinguished well for rest 274 residues which were same in three
chains!
But i can try it once!
On Wed, Sep 16, 2015 at 8:47 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Wed, Sep 16, 2015 at 11:06 AM, ankita mehta <mehtaroadies.gmail.com>
> wrote:
>
> > It dint work while inserting the ter cards ...
> > same error!
> > Here is the portion of pdb:
> > HETATM 6049 PB gdp A 275 15.509 6.276 79.628 0.70
> > 16.09 P
> > HETATM 6050 O1B gdp A 275 14.845 5.677 80.833 0.70
> > 17.07 O
> > HETATM 6051 O2B gdp A 275 16.426 5.221 79.121 0.70
> > 14.03 O
> > HETATM 6052 O3B gdp A 275 14.357 6.514 78.679 0.70
> > 18.90 O
> > HETATM 6053 O3A gdp A 275 16.341 7.614 79.963 0.70
> > 17.92 O
> > HETATM 6054 PA gdp A 275 16.075 9.202 79.622 0.70
> > 20.50 P
> > HETATM 6055 O1A gdp A 275 14.822 9.807 80.227 0.70
> > 21.99 O
> > HETATM 6056 O2A gdp A 275 16.298 9.643 78.203 0.70
> > 19.91 O
> > HETATM 6057 O5' gdp A 275 17.330 9.855 80.377 0.70
> > 22.10 O
> > HETATM 6058 C5' gdp A 275 17.499 9.818 81.786 0.70
> > 23.54 C
> > HETATM 6059 C4' gdp A 275 18.095 11.155 82.226 0.70
> > 24.92 C
> > HETATM 6060 O4' gdp A 275 19.422 11.263 81.721 0.70
> > 24.59 O
> > HETATM 6061 C3' gdp A 275 17.341 12.340 81.645 0.70
> > 25.40 C
> > HETATM 6062 O3' gdp A 275 17.311 13.433 82.553 0.70
> > 27.11 O
> > HETATM 6063 C2' gdp A 275 18.123 12.759 80.419 0.70
> > 25.06 C
> > HETATM 6064 O2' gdp A 275 17.939 14.148 80.126 0.70
> > 22.51 O
> > HETATM 6065 C1' gdp A 275 19.542 12.374 80.808 0.70
> > 24.64 C
> > HETATM 6066 N9 gdp A 275 20.413 11.982 79.656 0.70
> > 25.18 N
> > HETATM 6067 C8 gdp A 275 20.094 11.279 78.552 0.70
> > 24.01 C
> > HETATM 6068 N7 gdp A 275 21.186 11.124 77.754 0.70
> > 24.23 N
> > HETATM 6069 C5 gdp A 275 22.230 11.721 78.348 0.70
> > 24.43 C
> > HETATM 6070 C6 gdp A 275 23.681 11.931 78.060 0.70
> > 23.91 C
> > HETATM 6071 O6 gdp A 275 24.206 11.498 77.026 0.70
> > 23.68 O
> > HETATM 6072 N1 gdp A 275 24.418 12.591 78.953 0.70
> > 23.95 N
> > HETATM 6073 C2 gdp A 275 23.870 13.078 80.083 0.70
> > 23.85 C
> > HETATM 6074 N2 gdp A 275 24.644 13.742 80.944 0.70
> > 24.82 N
> > HETATM 6075 N3 gdp A 275 22.562 12.944 80.425 0.70
> > 24.29 N
> > HETATM 6076 C4 gdp A 275 21.712 12.275 79.608 0.70
> > 24.93 C
> > HETATM 6077 PB gdp B 275 16.565 -4.210 32.226 1.00
> > 37.60 P
> > HETATM 6079 O2B gdp B 275 17.633 -5.236 32.576 1.00
> > 38.71 O
> > HETATM 6080 O3B gdp B 275 15.331 -4.521 33.038 1.00
> > 32.61 O
> > HETATM 6081 O3A gdp B 275 16.302 -4.270 30.618 1.00
> > 39.25 O
> > HETATM 6082 PA gdp B 275 14.830 -4.089 29.957 1.00
> > 36.87 P
> > HETATM 6083 O1A gdp B 275 14.337 -2.732 30.421 1.00
> > 40.23 O
> > HETATM 6084 O2A gdp B 275 13.865 -5.235 30.214 1.00
> > 33.39 O
> > HETATM 6085 O5' gdp B 275 15.169 -4.066 28.403 1.00
> > 38.25 O
> > HETATM 6086 C5' gdp B 275 16.007 -3.068 27.846 1.00
> > 38.62 C
> > HETATM 6087 C4' gdp B 275 15.593 -2.859 26.396 1.00
> > 39.21 C
> > HETATM 6088 O4' gdp B 275 15.988 -4.051 25.719 1.00
> > 38.53 O
> > HETATM 6089 C3' gdp B 275 14.076 -2.668 26.173 1.00
> > 39.88 C
> > HETATM 6090 O3' gdp B 275 13.800 -1.673 25.162 1.00
> > 40.30 O
> > HETATM 6091 C2' gdp B 275 13.586 -4.043 25.747 1.00
> > 39.76 C
> > HETATM 6092 O2' gdp B 275 12.464 -4.068 24.848 1.00
> > 39.74 O
> > HETATM 6093 C1' gdp B 275 14.838 -4.601 25.084 1.00
> > 38.27 C
> > HETATM 6094 N9 gdp B 275 14.917 -6.069 25.161 1.00
> > 37.90 N
> > HETATM 6095 C8 gdp B 275 14.713 -6.903 26.207 1.00
> > 37.90 C
> > HETATM 6096 N7 gdp B 275 14.893 -8.196 25.823 1.00
> > 37.88 N
> > HETATM 6097 C5 gdp B 275 15.220 -8.169 24.502 1.00
> > 38.08 C
> > HETATM 6098 C6 gdp B 275 15.548 -9.131 23.428 1.00
> > 36.95 C
> > HETATM 6099 O6 gdp B 275 15.585 -10.345 23.635 1.00
> > 37.85 O
> > HETATM 6100 N1 gdp B 275 15.820 -8.678 22.210 1.00
> > 37.85 N
> > HETATM 6101 C2 gdp B 275 15.806 -7.361 21.894 1.00
> > 38.03 C
> > HETATM 6102 N2 gdp B 275 16.100 -6.963 20.639 1.00
> > 37.46 N
> > HETATM 6103 N3 gdp B 275 15.523 -6.406 22.806 1.00
> > 37.40 N
> > HETATM 6104 C4 gdp B 275 15.233 -6.760 24.086 1.00
> > 38.29 C
> > HETATM 6105 PB gdp C 275 59.173 -11.996 90.075 1.00
> > 36.39 P
> > HETATM 6106 O1B gdp C 275 60.610 -11.687 90.459 1.00
> > 34.58 O
> > HETATM 6107 O2B gdp C 275 58.946 -11.735 88.587 1.00
> > 30.76 O
> > HETATM 6108 O3B gdp C 275 58.826 -13.427 90.406 1.00
> > 30.86 O
> > HETATM 6109 O3A gdp C 275 58.274 -10.908 90.897 1.00
> > 36.27 O
> > HETATM 6110 PA gdp C 275 57.282 -11.209 92.142 1.00
> > 34.00 P
> > HETATM 6111 O1A gdp C 275 58.041 -11.802 93.307 1.00
> > 35.78 O
> > HETATM 6112 O2A gdp C 275 56.090 -12.037 91.780 1.00
> > 35.09 O
> > HETATM 6113 O5' gdp C 275 56.775 -9.752 92.486 1.00
> > 36.91 O
> > HETATM 6114 C5' gdp C 275 57.753 -8.785 92.859 1.00
> > 37.30 C
> > HETATM 6115 C4' gdp C 275 57.042 -7.745 93.701 1.00
> > 36.85 C
> > HETATM 6116 O4' gdp C 275 56.096 -7.106 92.847 1.00
> > 35.01 O
> > HETATM 6117 C3' gdp C 275 56.263 -8.377 94.851 1.00
> > 37.35 C
> > HETATM 6118 O3' gdp C 275 56.305 -7.539 96.008 1.00
> > 41.40 O
> > HETATM 6119 C2' gdp C 275 54.837 -8.444 94.340 1.00
> > 37.12 C
> > HETATM 6120 O2' gdp C 275 53.799 -8.388 95.332 1.00
> > 38.51 O
> > HETATM 6121 C1' gdp C 275 54.810 -7.194 93.482 1.00
> > 34.12 C
> > HETATM 6122 N9 gdp C 275 53.777 -7.213 92.438 1.00
> > 33.34 N
> > HETATM 6123 C8 gdp C 275 53.343 -8.272 91.721 1.00
> > 32.27 C
> > HETATM 6124 N7 gdp C 275 52.416 -7.859 90.844 1.00
> > 32.50 N
> > HETATM 6125 C5 gdp C 275 52.256 -6.531 90.976 1.00
> > 32.37 C
> > HETATM 6126 C6 gdp C 275 51.439 -5.477 90.343 1.00
> > 32.53 C
> > HETATM 6127 O6 gdp C 275 50.651 -5.777 89.424 1.00
> > 32.43 O
> > HETATM 6128 N1 gdp C 275 51.586 -4.205 90.782 1.00
> > 32.62 N
> > HETATM 6129 C2 gdp C 275 52.453 -3.885 91.769 1.00
> > 32.44 C
> > HETATM 6130 N2 gdp C 275 52.563 -2.601 92.171 1.00
> > 33.29 N
> > HETATM 6131 N3 gdp C 275 53.239 -4.800 92.394 1.00
> > 31.96 N
> > HETATM 6132 C4 gdp C 275 53.169 -6.107 92.040 1.00
> > 32.95 C
> > END
> >
> >
> > it should distinguish between three gdps on the basis of different chains
> > A, B , C ......and i figured out there are 274+274+274=822 residues in
> > chain A,B and C ...so rseidue 823 is the first GDP only.......
> >
> > while inserting TER card it returned the same error!
> >
>
> Try assigning them different residue numbers.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Wed Sep 16 2015 - 08:30:14 PDT
