getBest

Print out the filenames of the lowest energy structures listed in an Xplor-NIH .stats file. By default, all .stats files in the current directory are consulted. It can also be used to create symbolic links to these filenames.

Usage: getBest [option] <file|directory>

A directory can be specified if it contains only a single .stats file options:

-help  - this usage message.
-num   - the number of filenames to print (not greater than the
         number of filenames present in the .stats file).
-index - start listing with the index'th filename (zero offset).
-indices <list> - list of space or colon delimited index numbers.
-viols - list correspoding .viols filenames.
-prefix <pref> - the name of each file returned is prepended with
                 the specified string. This prefix cannot contain
                 the pipe character ``|''
-suffix <suff> - the specified string is appended to each returned
                 file name.
-extension <ext> - the filename extension (everything including
                   and after the final . is replaced with the
                   specified value.
-nl      Separate file names with a newline instead of a space.

-symlinks - create symbolic links to the selected files.
            This is intended to generate filenames which
            can be used for subsequent calculations.
            Each symlink name will be that of the corresponding
            coordinate file but with a suffix appended.
            The default suffix is ``.best'' and an alternative
            can be specified using the -symlinkSuffix option.
            For Ensemble calculations one should always specify
            -all when using this option.
-symlinkSuffix <suff> - change suffix for symlinks - see above.

The remaining options can be used to list filenames associated
  with EnsembleSimulation calculations.

-all   - print filenames for all ensemble members. By default,
         only the first (member 0) structure filename is printed
-mem <num> - list only the filename corresponding to the specific
             member.
-members <list> - space or colon delimited list of ensemble
                  members to report.
-wildcard <spec> - glob specification of ensemble members to
                   report.
-everything - list files of all ensemble members and any other
              files which correspond to the listed ensemble
-quoted     - quote the wildcard (glob) such that the wildcard
              pattern is printed and not the filenames which match.