Index: tests/regression/Filling/RegularGrid/pre/amylose_straightened_more.pdb
===================================================================
--- tests/regression/Filling/RegularGrid/pre/amylose_straightened_more.pdb	(revision b9d387d86af35ffb36dbc15f04ebe37e10d50d98)
+++ tests/regression/Filling/RegularGrid/pre/amylose_straightened_more.pdb	(revision b9d387d86af35ffb36dbc15f04ebe37e10d50d98)
@@ -0,0 +1,470 @@
+REMARK created by molecuilder on Sat Oct 11 14:56:22 2014, time step 0
+HETATM    1 C   0non 01          3.340   2.372   3.887  0.00  0.00           C 0
+HETATM    2 C   0non 01          2.748   1.628   2.714  0.00  0.00           C 0
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+HETATM    5 C   0non 01          5.191   3.098   2.558  0.00  0.00           C 0
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+HETATM    7 O   0non 01          4.160   3.456   3.470  0.00  0.00           O 0
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+HETATM  213 H   0non 01          1.465   1.307  38.203  0.00  0.00           H 0
+HETATM  214 H   0non 01          3.303   6.268  41.502  0.00  0.00           H 0
+HETATM  215 H   0non 01          5.416   3.510  50.950  0.00  0.00           H 0
+HETATM  216 H   0non 01          4.622   0.962  49.379  0.00  0.00           H 0
+HETATM  217 H   0non 01          5.354   3.867  48.496  0.00  0.00           H 0
+HETATM  218 H   0non 01          3.382   4.157  47.751  0.00  0.00           H 0
+HETATM  219 H   0non 01          1.458   3.755  46.470  0.00  0.00           H 0
+HETATM  220 H   0non 01          2.861   1.405  45.045  0.00  0.00           H 0
+HETATM  221 H   0non 01          2.222   4.346  44.200  0.00  0.00           H 0
+HETATM  222 H   0non 01          4.808   2.743  44.629  0.00  0.00           H 0
+HETATM  223 H   0non 01          5.129   4.219  42.655  0.00  0.00           H 0
+HETATM  224 H   0non 01          4.385   5.608  43.559  0.00  0.00           H 0
+HETATM  225 H   0non 01          0.991   1.579  47.039  0.00  0.00           H 0
+HETATM  226 H   0non 01          0.963   1.504  43.868  0.00  0.00           H 0
+HETATM  227 H   0non 01          6.038   5.168  45.151  0.00  0.00           H 0
+HETATM  228 H   0non 01          6.706   1.149  48.008  0.00  0.00           H 0
+HETATM  229 H   0non 01          6.999   2.593  46.021  0.00  0.00           H 0
+HETATM  230 H   0non 01          7.392   4.018  47.074  0.00  0.00           H 0
+HETATM  231 H   0non 01          8.001   0.547  50.029  0.00  0.00           H 0
+HETATM  232 H   0non 01          4.028   1.927  51.878  0.00  0.00           H 0
+HETATM  233 H   0non 01          2.787   2.116  49.076  0.00  0.00           H 0
+HETATM  234 H   0non 01          9.105   2.734  47.893  0.00  0.00           H 0
+CONECT    1    7   21  123    2                                                 
+CONECT    2    1    8    3  124                                                 
+CONECT    3    2    4    9  125                                                 
+CONECT    4    3    5   10  126                                                 
+CONECT    5    4    6  127    7                                                 
+CONECT    6    5   11  128  129                                                 
+CONECT    7    1    5                                                           
+CONECT    8    2  130                                                           
+CONECT    9    3  131                                                           
+CONECT   10    4  132                                                           
+CONECT   11    6  133                                                           
+CONECT   12   32   18  134   13                                                 
+CONECT   13   12   14   19  135                                                 
+CONECT   14   13   15   20  136                                                 
+CONECT   15   14   16   21  137                                                 
+CONECT   16   15   17   18  138                                                 
+CONECT   17   16   22  139  140                                                 
+CONECT   18   12   16                                                           
+CONECT   19   13  141                                                           
+CONECT   20   14  142                                                           
+CONECT   21    1   15                                                           
+CONECT   22   17  143                                                           
+CONECT   23   24   44  144   29                                                 
+CONECT   24   23   25  145   30                                                 
+CONECT   25   24  146   26   31                                                 
+CONECT   26   25   27   32  147                                                 
+CONECT   27   26   28   29  148                                                 
+CONECT   28   27   33  149  150                                                 
+CONECT   29   23   27                                                           
+CONECT   30   24  151                                                           
+CONECT   31   25  152                                                           
+CONECT   32   12   26                                                           
+CONECT   33   28  153                                                           
+CONECT   34   58   35   40  154                                                 
+CONECT   35   34   36   42  155                                                 
+CONECT   36   35   37   43  156                                                 
+CONECT   37   36   38   44  157                                                 
+CONECT   38   37   39   40  158                                                 
+CONECT   39   38   45  159  160                                                 
+CONECT   40   34   38                                                           
+CONECT   41   46  113   95  161                                                 
+CONECT   42   35  162                                                           
+CONECT   43   36  163                                                           
+CONECT   44   23   37                                                           
+CONECT   45   39  164                                                           
+CONECT   46   41   47   97  165                                                 
+CONECT   47   46   48   98  166                                                 
+CONECT   48   47   93   99  167                                                 
+CONECT   49   50   69  168   55                                                 
+CONECT   50   49  169   51   56                                                 
+CONECT   51   50   52   57  170                                                 
+CONECT   52   51   53   58  171                                                 
+CONECT   53   52   54   55  172                                                 
+CONECT   54   53   59  173  174                                                 
+CONECT   55   49   53                                                           
+CONECT   56   50  175                                                           
+CONECT   57   51  176                                                           
+CONECT   58   34   52                                                           
+CONECT   59   54  177                                                           
+CONECT   60   61   66   80  178                                                 
+CONECT   61   60   62   67  179                                                 
+CONECT   62   61   63   68  180                                                 
+CONECT   63   62   64   69  181                                                 
+CONECT   64   63   65   66  182                                                 
+CONECT   65   64   70  183  184                                                 
+CONECT   66   60   64                                                           
+CONECT   67   61  185                                                           
+CONECT   68   62  186                                                           
+CONECT   69   49   63                                                           
+CONECT   70   65  187                                                           
+CONECT   71   72   77   91  188                                                 
+CONECT   72   71   73   78  189                                                 
+CONECT   73   72   74   79  190                                                 
+CONECT   74   73   75   80  191                                                 
+CONECT   75   74   76   77  192                                                 
+CONECT   76   75   81  193  194                                                 
+CONECT   77   71   75                                                           
+CONECT   78   72  195                                                           
+CONECT   79   73  196                                                           
+CONECT   80   60   74                                                           
+CONECT   81   76  197                                                           
+CONECT   82   83   88   99  198                                                 
+CONECT   83   82   84   89  199                                                 
+CONECT   84   83   85   90  200                                                 
+CONECT   85   84   86   91  201                                                 
+CONECT   86   85   87   88  202                                                 
+CONECT   87   86   92  203  204                                                 
+CONECT   88   82   86                                                           
+CONECT   89   83  205                                                           
+CONECT   90   84  206                                                           
+CONECT   91   71   85                                                           
+CONECT   92   87  207                                                           
+CONECT   93   48   94   95  208                                                 
+CONECT   94   93  209  210  100                                                 
+CONECT   95   41   93                                                           
+CONECT   96  211  101  117  118                                                 
+CONECT   97   46  212                                                           
+CONECT   98   47  213                                                           
+CONECT   99   48   82                                                           
+CONECT  100   94  214                                                           
+CONECT  101   96  102  119  215                                                 
+CONECT  102  101  103  120  216                                                 
+CONECT  103  102  115  121  217                                                 
+CONECT  104  105  110  121  218                                                 
+CONECT  105  104  106  111  219                                                 
+CONECT  106  105  107  112  220                                                 
+CONECT  107  106  108  113  221                                                 
+CONECT  108  107  109  110  222                                                 
+CONECT  109  108  114  223  224                                                 
+CONECT  110  104  108                                                           
+CONECT  111  105  225                                                           
+CONECT  112  106  226                                                           
+CONECT  113   41  107                                                           
+CONECT  114  109  227                                                           
+CONECT  115  103  116  117  228                                                 
+CONECT  116  115  122  229  230                                                 
+CONECT  117   96  115                                                           
+CONECT  118   96  231                                                           
+CONECT  119  101  232                                                           
+CONECT  120  102  233                                                           
+CONECT  121  103  104                                                           
+CONECT  122  116  234                                                           
+CONECT  123    1                                                                
+CONECT  124    2                                                                
+CONECT  125    3                                                                
+CONECT  126    4                                                                
+CONECT  127    5                                                                
+CONECT  128    6                                                                
+CONECT  129    6                                                                
+CONECT  130    8                                                                
+CONECT  131    9                                                                
+CONECT  132   10                                                                
+CONECT  133   11                                                                
+CONECT  134   12                                                                
+CONECT  135   13                                                                
+CONECT  136   14                                                                
+CONECT  137   15                                                                
+CONECT  138   16                                                                
+CONECT  139   17                                                                
+CONECT  140   17                                                                
+CONECT  141   19                                                                
+CONECT  142   20                                                                
+CONECT  143   22                                                                
+CONECT  144   23                                                                
+CONECT  145   24                                                                
+CONECT  146   25                                                                
+CONECT  147   26                                                                
+CONECT  148   27                                                                
+CONECT  149   28                                                                
+CONECT  150   28                                                                
+CONECT  151   30                                                                
+CONECT  152   31                                                                
+CONECT  153   33                                                                
+CONECT  154   34                                                                
+CONECT  155   35                                                                
+CONECT  156   36                                                                
+CONECT  157   37                                                                
+CONECT  158   38                                                                
+CONECT  159   39                                                                
+CONECT  160   39                                                                
+CONECT  161   41                                                                
+CONECT  162   42                                                                
+CONECT  163   43                                                                
+CONECT  164   45                                                                
+CONECT  165   46                                                                
+CONECT  166   47                                                                
+CONECT  167   48                                                                
+CONECT  168   49                                                                
+CONECT  169   50                                                                
+CONECT  170   51                                                                
+CONECT  171   52                                                                
+CONECT  172   53                                                                
+CONECT  173   54                                                                
+CONECT  174   54                                                                
+CONECT  175   56                                                                
+CONECT  176   57                                                                
+CONECT  177   59                                                                
+CONECT  178   60                                                                
+CONECT  179   61                                                                
+CONECT  180   62                                                                
+CONECT  181   63                                                                
+CONECT  182   64                                                                
+CONECT  183   65                                                                
+CONECT  184   65                                                                
+CONECT  185   67                                                                
+CONECT  186   68                                                                
+CONECT  187   70                                                                
+CONECT  188   71                                                                
+CONECT  189   72                                                                
+CONECT  190   73                                                                
+CONECT  191   74                                                                
+CONECT  192   75                                                                
+CONECT  193   76                                                                
+CONECT  194   76                                                                
+CONECT  195   78                                                                
+CONECT  196   79                                                                
+CONECT  197   81                                                                
+CONECT  198   82                                                                
+CONECT  199   83                                                                
+CONECT  200   84                                                                
+CONECT  201   85                                                                
+CONECT  202   86                                                                
+CONECT  203   87                                                                
+CONECT  204   87                                                                
+CONECT  205   89                                                                
+CONECT  206   90                                                                
+CONECT  207   92                                                                
+CONECT  208   93                                                                
+CONECT  209   94                                                                
+CONECT  210   94                                                                
+CONECT  211   96                                                                
+CONECT  212   97                                                                
+CONECT  213   98                                                                
+CONECT  214  100                                                                
+CONECT  215  101                                                                
+CONECT  216  102                                                                
+CONECT  217  103                                                                
+CONECT  218  104                                                                
+CONECT  219  105                                                                
+CONECT  220  106                                                                
+CONECT  221  107                                                                
+CONECT  222  108                                                                
+CONECT  223  109                                                                
+CONECT  224  109                                                                
+CONECT  225  111                                                                
+CONECT  226  112                                                                
+CONECT  227  114                                                                
+CONECT  228  115                                                                
+CONECT  229  116                                                                
+CONECT  230  116                                                                
+CONECT  231  118                                                                
+CONECT  232  119                                                                
+CONECT  233  120                                                                
+CONECT  234  122                                                                
+END
Index: tests/regression/Filling/RegularGrid/pre/water.pdb
===================================================================
--- tests/regression/Filling/RegularGrid/pre/water.pdb	(revision b9d387d86af35ffb36dbc15f04ebe37e10d50d98)
+++ tests/regression/Filling/RegularGrid/pre/water.pdb	(revision b9d387d86af35ffb36dbc15f04ebe37e10d50d98)
@@ -0,0 +1,8 @@
+REMARK created by molecuilder on Tue Feb 16 15:44:56 2016, time step 0
+ATOM      1 O01 0wat 01          5.000   5.000   5.504  0.00  0.00           O 0
+ATOM      2 H01 0wat 01          5.759   5.000   6.009  0.00  0.00           H 0
+ATOM      3 H02 0wat 01          5.759   5.000   5.000  0.00  0.00           H 0
+CONECT    1    2    3                                                           
+CONECT    2    1                                                                
+CONECT    3    1                                                                
+END
