NAME
atoms - make lists of atomic coordinates from crystallographic data
SYNOPSIS
atoms [-fu8gpsbaxF][-r#][-qvh][-tatptype-ofile]input_file
DESCRIPTION
Take crystallographic data from the input file given on the command
line and write output as indicated by their contents. If no input file
is given, F<atoms.inp> is used. If the input file specified at the
command line is ’-’, then input is read from STDIN. If no output
format is specified, an input file for feff will be written. Several
command line switches can be used to override the contents of the input
files.
output file flags
-f feff6 input file -u unit cell file
-8 feff8 input file -g geometry file
-p P1 input file -s symmetry file
-a alchemy atoms list -x xyz atoms list
-b Protein Databank list
-F do not write feff file -O write to STDOUT
-t s user supplied template -o f output file name
operational flags
-r # override the value of rmax with the given value
-A use a named file from the Atoms Database
-q suppress screen messages
-v write version information and exit
-h write this message and exit
# = number f = file s = string
For complete information about Atoms, consult the documentation at:
http://cars9.uchicago.edu/~ravel/software/doc/Atoms/
AUTHOR
Atoms is copyright (c) 1998-2005 Bruce Ravel
bravel@bnl.gov
http://cars9.uchicago.edu/~ravel
May 1, 2006