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                                   ATOMS(1)