Dear PyMol Experts, I would like to use pymol to visualize a periodic structure and show isosurface of charge density calculated from a LDA code. I have the charge density on a regular grid (in fractional coordinates).
I am very new in pymol and not sure if it is possible to do some of the following tasks: 1. How can I get my density data into pymol to do isosurface plot? I never used xplor map files before and I coudn't find information about the file format, etc?? 2. Is it possible to have a plane cutting the isosurface (to show a 2D contour plot on a plane in the crystal)? I noticed that "gopenmol" does what I ask above but I like python and therefore I want to do these by using pymol! Any help or suggestions would be appreciated very much. thanks, Taner PS: one more question about CGO? I noticed that we can do spheres and cylinders? What about an "arrow" object? If I want to show a magnetic structure, how can I include the spin vectors on atoms in pymol? Is there a anything available for arrow? ******************************************************************** Dr. Taner Yildirim, Ph.D. Physicist, Condensed Matter Science Group, ta...@nist.gov NIST Center for Neutron Research, PHONE: 301-975-6228 National Institute of Standards & Technology FAX : 301-921-9847 Gaithersburg, MD 20899-8562 Web : http://webster.ncnr.nist.gov/staff/taner ********************************************************************
