Which papers have you read so far? Catch ya,
Dr. Dallas Warren Drug Discovery Biology Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. > -----Original Message----- > From: gmx-users-boun...@gromacs.org [mailto:gmx-users- > boun...@gromacs.org] On Behalf Of Ahmet yildirim > Sent: Monday, 15 July 2013 9:41 AM > To: Discussion list for GROMACS users > Subject: Re: [gmx-users] Figures of PCA analysis > > Can anybody help me understand these better? > > > 2013/7/10 lloyd riggs <lloyd.ri...@gmx.ch> > > > There vectors. Theres some good older papers explaining the whole > thing > > from Van Gunstern, Berendsen, and some other good ones from de Groot > that > > explain them well and includes combining them with other data > analysis > > types, but I dont remeber the actual publications. A few are in the > mid > > 1990's, however these explain PCA better than some of the newer > ones...but > > some extensive reading...or text books from van guntstern and/or > Berendsen > > explain the whole thing well, from the math to the actual "what it > means" > > aspect. > > > > *Gesendet:* Mittwoch, 10. Juli 2013 um 14:46 Uhr > > *Von:* "Ahmet yıldırım" <ahmedo...@gmail.com> > > *An:* "Discussion list for GROMACS users" <gmx-users@gromacs.org> > > *Betreff:* [gmx-users] Figures of PCA analysis > > Dear users, > > > > I have a few questions about PCA analysis. I see the figures below in > the > > most > > of the publications: > > 1.) Figure:Eigenvalues along the eigenvectors > > This figure gives contribution of eigenvalues along the eigenvectors > to the > > overall motion of the protein??? > > 2.) Figure:the projection of the MD trajectories onto the first ten > > principal components > > This figure gives contribution of the first 10 eigenvectors to the > overall > > motion of the protein??? > > 3.)The projection of the MD trajectories onto the plane of the first > and > > the second principal components > > This figure gives knowledge about conformational spaces of > structures??? > > > > Which one gives information about the motion of the structure? > > Can anyone explain to me in detail what these figure are? > > -- > > Ahmet Yıldırım > > -- > > 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 > > > > -- > > 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 > > > > > > -- > Ahmet Yıldırım > -- > 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 -- 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
