In jmol I load my specific pdb file and then I use the option
symmetry -> Reload+ polyhedra
how to save the atoms and their coordinates in a pdb file. Because when I try it always gives me the coordinates for {3 3 3} unitcells. I am just interested in the atoms which are inside a single unitcell..
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
In jmol I load my specific pdb file and then I use the option
symmetry -> Reload+ polyhedra
how to save the atoms and their coordinates in a pdb file. Because when I
try it always gives me the coordinates for {3 3 3} unitcells. I am just
interested in the atoms which are inside a single unitcell..
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
Hey Everyone...
In jmol I load my specific pdb file and then I use the option
symmetry -> Reload+ polyhedra
how to save the atoms and their coordinates in a pdb file. Because when I try it always gives me the coordinates for {3 3 3} unitcells. I am just interested in the atoms which are inside a single unitcell..
first select your atoms, then write the file.
select cell=555
On Tue, Dec 23, 2014 at 12:27 PM, Malik abmalik@users.sf.net wrote:
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900