Hi Yusuf The OpenSource statistics software "R" (http://www.r-project.org) has many packages that can do PCA, PLS and other multivariate analyses, which we have used with great success.
There are several Pyhton interfaces to R, eg. http://www.omegahat.org/RSPython/ http://rpy.sourceforge.net/ I must admit I haven't tried these, but it appears to be a shortcut to do advanced statistics within PyMOL.... Cheers, Esben -----Original Message----- From: pymol-users-ad...@lists.sourceforge.net on behalf of Warren DeLano Sent: Tue 2005-07-19 18:17 To: tanri...@stud.uni-frankfurt.de; pymol-users@lists.sourceforge.net Subject: RE: [PyMOL] Implementing PCA Yusuf, You can use the Numeric Python or Numarray modules to perform such tasks. The windows builds include a (somewhat dated) version of Numeric by default that can be accessed as follows: from Numeric import * http://numeric.scipy.org/ Numeric's Linear algebra docs http://numeric.scipy.org/numpydoc/numpy-18.html#pgfId-303015 Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 USA . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:war...@delsci.com > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > tanri...@stud.uni-frankfurt.de > Sent: Tuesday, July 19, 2005 6:08 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Implementing PCA > > Hi everybody, > > I want to write a PCA script (.py) for use within PyMOL. Are > there any matrix operations or eigenvector calculations > implemented by now, or do I have to integrate other > libraries? How do I do that in Linux? > > Thanks for your help. > > Yusuf > > > -- > Yusuf Tanrikulu > Bioinformatics Diploma Student > Department of Biosciences > Johann Wolfgang Goethe-University > Marie-Curie-Str. 11 > D-60439 Frankfurt, Germany > Email: tanrik...@bioinformatik.uni-frankfurt.de > > > ------------------------------------------------------- > SF.Net email is sponsored by: Discover Easy Linux Migration > Strategies from IBM. Find simple to follow Roadmaps, > straightforward articles, informative Webcasts and more! Get > everything you need to get up to speed, fast. > http://ads.osdn.com/?ad_id=7477&alloc_id=16492&op=click > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users > > > ------------------------------------------------------- SF.Net email is sponsored by: Discover Easy Linux Migration Strategies from IBM. Find simple to follow Roadmaps, straightforward articles, informative Webcasts and more! Get everything you need to get up to speed, fast. http://ads.osdn.com/?ad_idt77&alloc_id492&op=ick _______________________________________________ PyMOL-users mailing list PyMOL-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/pymol-users
