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Wrong presentation of psi of protein backbone #294

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InvincibleZZH opened this issue Aug 6, 2023 · 3 comments
Open

Wrong presentation of psi of protein backbone #294

InvincibleZZH opened this issue Aug 6, 2023 · 3 comments
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@InvincibleZZH
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in your doc showing psi angle of protein backbone,
https://userguide.mdanalysis.org/1.1.1/examples/analysis/structure/dihedrals.html
you can see that in the picture psi consists of CAi Ci Ni+1 CAi+1
but it is supposed to be N CA C Ni+1

@lilyminium lilyminium transferred this issue from MDAnalysis/mdanalysis Aug 8, 2023
@lilyminium
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Thanks for raising this, @InvincibleZZH -- you're right, that was a mistake!

@InvincibleZZH
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also omega
it should consist of current amino acid and the next one
but the illustration is saying that it consists of the last one and the current one

@orbeckst orbeckst added analysis For analysis modules defect bug labels Dec 19, 2024
@orbeckst
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Still wrong in https://userguide.mdanalysis.org/stable/examples/analysis/structure/dihedrals.html

  • $\omega$ should take the place of the current $\psi$ (Ci-Ni+1)
  • $\psi$ should be attached to CAi-Ci

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