Hi Prathiba, I think you should have a look at the "Functional Mode Analysis" method from Bert de Groot's lab.
Cheers, Tsjerk On Sat, Sep 28, 2013 at 8:13 AM, pratibha kapoor <kapoorpratib...@gmail.com>wrote: > 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 > -- Tsjerk A. Wassenaar, Ph.D. -- 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