Varience-Covarience matrix and normalized cross-correlation matrix

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Manori Jayasinghe

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May 22, 2020, 1:01:56 PM5/22/20
to carma molecular dynamics
Dear Friends,
I used the Carma package to compute the Varience-covarience matrix and the normalized cross correlation matrix. The command I used for the normalized varience-covarince calculations is carma -verb -write -cov -eigen my.psf my.dcd. The command I used to compute the normalized cross correlation matrix is carma -verb -write -cov -dot -norm my.psf my.dcd. I found similar maps. I really need to know the formulae behind these two calculations to understand what they calculate exactly. It would be great if you could direct me to a source or provide me with the formulas for these two calculations.

Thanks
Manori

Nicholas M. Glykos

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May 22, 2020, 1:23:47 PM5/22/20
to Manori Jayasinghe, carma molecular dynamics

> I used the Carma package to compute the Varience-covarience matrix and the
> normalized cross correlation matrix. The command I used for the normalized
> varience-covarince calculations is *carma -verb -write -cov -eigen my.psf
> my.dcd. The command I used to compute the normalized cross correlation
> matrix is **carma -verb -write -cov -dot -norm my.psf my.dcd. I found
> similar maps. I really need to know the formulae behind these two
> calculations to understand what they calculate exactly. It would be great
> if you could direct me to a source or provide me with the formulas for
> these two calculations.*


This is a classic :

https://onlinelibrary.wiley.com/doi/abs/10.1002/prot.340110305




--


Nicholas M. Glykos, Department of Molecular Biology
and Genetics, Democritus University of Thrace, University Campus,
Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
Ext.77620, Tel (lab) +302551030615, https://utopia.duth.gr/glykos/

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