USalign RMSD

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fsin
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Joined: Mon Jun 10, 2024 3:33 am

USalign RMSD

Post by fsin »

I would like to ask how the RMSD between two structures is calculated for USalign
zcx@umich.edu
Posts: 76
Joined: Wed Nov 03, 2021 5:59 pm

Re: USalign RMSD

Post by zcx@umich.edu »

To calculate the RMSD, a Kabsch superimposition (a.k.a. RMSD superimposition) is performed on the subset of aligned residue pairs and the RMSD can be calculated by:
RMSD = sqrt ( 1/Lali \sum_{i=1}^Lali d_i ^2 )
where Lali is the number of aligned residue pairs, d_i is the distance between the i-th aligned residue pair.

Note that the Kabsch superimposition is usually different from the TM-score superimposition, based on which the -o or -rasmol output is generated.
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