[gmx-users] principal component analysis

[pratibha kapoor]

Dear all users

I would like to calculate pc loadings for various integrated factors in the
form of following sample table:

 Integrated Factors

PC1

PC2

PC3

PC4

PC5

PC6

PC7

PC8

PC9

PC10

Total non polar surface area

0.60

-0.07

-0.76

-0.11

0.08

0.05

-0.16

0.08

-0.01

0.02

Native contacts

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Content of helix

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Average volume of cavity

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Content of turns

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

Some value

I have done cartesian coordinate pca using g_covar and g_anaeig (using -s
and -f flags) in which I have supplied my reference structure file (which
contains atomic coordinates of structure after equilibration). This way I
could get eigenvalues, eigenvectors and principal components.
Now I would like to ask how can I disect these principal components in
terms of various properties such as those enlisted above.
Any help is appreciated.