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. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
