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6.2 years ago
ac.research
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I am looking for a collaborator to assist me in accomplishing this task.
I am trying to construct a polypeptide backbone chain made up of Glycine given only the CA XYZ coordinates of each residue.
In other words: I need to turn these CA atoms:
ATOM 1 CA GLY A 1 1.408 31.978 -3.772 1.0 0.0 C
ATOM 2 CA GLY A 2 0.217 30.077 -0.712 1.0 0.0 C
ATOM 3 CA GLY A 3 3.487 28.223 -0.125 1.0 0.0 C
ATOM 4 CA GLY A 4 5.525 31.454 -0.244 1.0 0.0 C
ATOM 5 CA GLY A 5 2.976 33.18 2.017 1.0 0.0 C
Into a connected backbone chain made up of Glycines as such:
ATOM 1 N GLY A 1 2.508 32.931 -3.959 1.00 6.83 N
ATOM 2 CA GLY A 1 1.408 31.978 -3.772 1.00 6.25 C
ATOM 3 C GLY A 1 1.317 31.570 -2.293 1.00 5.33 C
ATOM 4 O GLY A 1 1.981 32.133 -1.424 1.00 5.71 O
ATOM 5 N GLY A 2 0.480 30.561 -2.065 1.00 5.99 N
ATOM 6 CA GLY A 2 0.217 30.077 -0.712 1.00 5.52 C
ATOM 7 C GLY A 2 1.500 29.591 -0.024 1.00 5.18 C
ATOM 8 O GLY A 2 1.782 29.941 1.143 1.00 5.40 O
ATOM 9 N GLY A 3 2.290 28.779 -0.730 1.00 5.59 N
ATOM 10 CA GLY A 3 3.487 28.223 -0.125 1.00 6.37 C
ATOM 11 C GLY A 3 4.456 29.346 0.273 1.00 5.81 C
ATOM 12 O GLY A 3 5.051 29.325 1.346 1.00 5.99 O
ATOM 13 N GLY A 4 4.630 30.358 -0.603 1.00 5.62 N
ATOM 14 CA GLY A 4 5.525 31.454 -0.244 1.00 5.95 C
ATOM 15 C GLY A 4 4.939 32.296 0.873 1.00 5.10 C
ATOM 16 O GLY A 4 5.691 32.806 1.723 1.00 5.86 O
ATOM 17 N GLY A 5 3.596 32.448 0.926 1.00 4.76 N
ATOM 18 CA GLY A 5 2.976 33.180 2.017 1.00 4.68 C
ATOM 19 C GLY A 5 3.328 32.578 3.389 1.00 4.33 C
ATOM 20 O GLY A 5 3.461 33.316 4.385 1.00 4.87 O
If you are able to write a python script that accomplishes this task you will be a co-author in my publication when it comes out.
This task will be included as part of a larger project that is concerned with De Novo protein design. So your work will be cruicial to the entire project.
