Dear PyMol Experts,
I would like to use pymol to visualize a periodic structure=20
and show isosurface of charge density calculated from a LDA
code. I have the charge density on a regular grid (in=20
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)?=20
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?=20
********************************************************************
Dr. Taner Yildirim, Ph.D. Physicist, Condensed Matter Science Group, =
ta...@ni... NIST Center for Neutron Research,=20
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
******************************************************************** |
