Question: Hello, I was asked to wirte a program to generate polymers in 3D position and consider torsion. input and output should be in (x y
Hello, I was asked to wirte a program to generate polymers in 3D position and consider torsion.
input and output should be in (x y z)form
Can I imagine the repeated unit as a whole and translate them into the the x-direction. I don't why whether this would effect its correct 3D conformation.
Take an example, the polyethylene coordinate
C 0.353 0.282 0.534
H 0.183 -0.035 0.325
H 0.582 0.497 0.732
C 0.823 0.742 0.912
H 0.712 0.423 0.821
H 0.612 0.312 0.742
After translation, whether only their x-coordinates change. And for the origin coordinates, whether some apps can give the exact values?
how about the torsion angle here? how to show them in the python code?
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