.. _Confab_report_format:

Confab report format (confabreport)
===================================

**Assess performance of a conformer generator relative to a set of reference structures**


Once a file containing conformers has been generated by :ref:`Confab`,
the result can be compared to the original input structures or a set
of reference structures using this output format.

Conformers are matched with reference structures using the molecule
title. For every conformer, there should be a reference structure
(but not necessarily vice versa).

Further information is available in the section describing :ref:`Confab`.



.. note:: This is a write-only format.

Write Options
~~~~~~~~~~~~~ 

-f <filename>  *File containing reference structures*
-r <rmsd>  *RMSD cutoff (default 0.5 Angstrom)*

     The number of structures with conformers within this RMSD cutoff
     of the reference will be reported.