Keyword PATTERN

This keyword is used to specify the geometries to be used as patterns in a (MD) similarity analysis.
Options:

$<$Name$>$

Pattern name with max. 60 characters.

Description:
It is possible to concatenate up to 10 PATTERN geometries in a single calculation. There should be no blank lines, comments or any keyword between the PATTERN keyword line and the pattern geometry definition in the keyword body. It is possible to specify a pattern name in the PATTERN keyword line to identify that pattern in the output as the following example shows.

 Alignment ENANTIOMER
 #
 # Definition of reference structure
 #
 GEOMETRY
 NA       0.000000      0.000000      0.000000
 NA       0.000000      0.000000      3.393525
 NA       3.268461      0.000000      1.479245
 NA       0.888324     -3.056532      4.774686
 NA      -1.629822     -4.455197      2.686041
 NA      -2.583769     -1.943555      4.967887
 NA      -2.989937     -0.984704      1.738553
 NA       1.366162     -2.955290      1.350093
 NA      -1.635500     -3.218847     -0.544082
 NA      -5.055099     -3.819702      3.167361
 PATTERN min2
 NA       0.000000      0.000000      0.000000
 NA       0.000000      0.000000      3.575759
 NA       3.549454      0.000000     -0.439483
 NA       2.938549      1.851826      2.596886
 NA       2.827134     -1.667030      2.498461
 NA      -0.441082      3.023305      1.834449
 NA       1.766140      3.022677     -0.663340
 NA      -0.477096     -3.183526      1.786813
 NA       1.714285     -3.182376     -0.693793
 NA       2.282350      5.408371      2.016496
 PATTERN min3
 NA       0.000000      0.000000      0.000000
 NA       0.000000      0.000000      3.566787
 NA       3.067758      0.000000      1.276279
 NA       0.794195     -3.055461      1.660894
 NA      -2.609997     -1.801127      1.799058
 NA       0.193436     -3.141545      5.116727
 NA      -1.732165     -5.064679      2.834014
 NA      -4.954470     -3.629680      3.753795
 NA      -2.916452     -4.658506      6.253583
 NA      -2.747943     -1.156385      5.271665
 PATTERN min4
 NA       0.000000      0.000000      0.000000
 NA       0.000000      0.000000      3.492390
 NA       3.139007      0.000000      1.618174
 NA       3.285473      0.000000     -1.910498
 NA       0.146554      0.000080     -3.529251
 NA      -3.034789      0.000000     -1.727631
 NA      -3.032251      0.000000      1.762791
 NA       3.285875     -0.000019     -5.402903
 NA       6.317725     -0.000215     -3.673600
 NA       6.320538     -0.000196     -0.183041