ScientificPython is a collection of Python modules that are useful for scientific applications. Most of them need the Numerical Python extension (aka NumPy), which is available from SourceForge; see http://numpy.sourceforge.net for details. This is release 2.4 of ScientificPython. The major new feature since the last stable release, 2.2, is the high-level parallelization module Scientific.BSP. Please read the BSP tutorial (in Doc/PDF) before using this, the reference manual by itself is probably not sufficient to understand the functioning of this module. Also check README.BSP for the technical details of running BSP parallel programs. Another new module is Scientific.Signals.Models, which implements autoregressive modeling of time series. If you find bugs, please tell me, and if you improve something, please send me the modified version. I don't promise anything, but since I use these modules a lot for my own work, I have an interest in keeping them bug-free and usable. For updates, check http://dirac.cnrs-orleans.fr/ScientificPython/ from time to time. Konrad Hinsen Centre de Biophysique Moleculaire (CNRS) Rue Charles Sadron 45071 Orleans Cedex 2 France E-Mail: hinsen@cnrs-orleans.fr --------------------------------------------------------------------------- Installation: ------------- Required: Python 1.5 or higher, the BSP module requires Python 2.1 or higher. Most modules also require Numerical Python. If you want to use the netCDF interface module, you also need the netCDF library, version 3.0 or higher. Installation is as simple as python setup.py build python setup.py install (the second command requires root priviledges on many installations). This will build the netCDF module if it can find a netCDF installation in either /usr/local or in /usr. If you you have installed netCDF somewhere else, you must edit the file setup.py and replace "None" in line 10 by the name of the base directory in quotes. Note for Macintosh users: Scientific Python is available through the fink project. However, you can also use the standard Unix installation procedure if you prefer. --------------------------------------------------------------------------- Manual: ------- The reference manual is provided in HTML and PDF formats: HTML: Doc/HTML/Scientific.html PDF: Doc/PDF/manual.pdf The DocBook XML source is also provided in Doc/XML. The BSP tutorial is in Doc/PDF/BSP_Tutorial.pdf. Examples: --------- The directory Examples provides a few simple example applications, including a C extension module that uses the netCDF C-API. Using Scientific.Visualization.VMD under Windows ------------------------------------------------ If VMD is installed in its default location, everything should work fine automatically. Otherwise, an error message will be printed. The default location is c:\Program Files\University of Illinois\VMD\vmd.exe or its equivalent on non-English Windows versions ("Program Files" changes its name).