Hi Anatoliy, I've done this for a few formats including raw data and it's not too hard. Just figure out the dimensions of your data, grid spacing, etc. Once you know that, put a CCP4 header on the file and load it as a CCP4 file.
An example of this is loading TIFF stacks into CCP4 formatted files. A script for that can be found here http://www.pymolwiki.org/index.php/Tiff2ccp4. You can modify the script for your own format ignoring the TIFF part and focusing on the CCP4 header part. Cheers, -- Jason On Wed, Apr 18, 2012 at 9:03 AM, Anatoliy Volkov <anatoliy.vol...@mtsu.edu> wrote: > Dear PyMOL users, > > I know that PyMOL is able to automatically compute and visualize gradient of > electrostatic potential (ESP). > However, I have my own codes that can calculate gradient of electron density > and electric field > ( - gradient of ESP) from various sources, such as experimental electron > density models > and theoretical wavefunctions. > I am wondering if it is possible to visualize "external" (i.e. precomputed) > vector data in PyMOL > (and if yes, how can I do it) ? > > Thank you, > Anatoliy > --------------------------- > Anatoliy Volkov, Ph.D. > Department of Chemistry > Middle Tennessee State University > > > ------------------------------------------------------------------------------ > Better than sec? Nothing is better than sec when it comes to > monitoring Big Data applications. Try Boundary one-second > resolution app monitoring today. Free. > http://p.sf.net/sfu/Boundary-dev2dev > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net -- Jason Vertrees, PhD PyMOL Product Manager Schrödinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ Better than sec? Nothing is better than sec when it comes to monitoring Big Data applications. Try Boundary one-second resolution app monitoring today. Free. http://p.sf.net/sfu/Boundary-dev2dev _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
