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view test-data/index.ndx @ 11:807aa4c9293d draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit ab7232ec03a3361f808f5a0be0828e0f7fbd376d"
author chemteam
date Mon, 23 Nov 2020 10:48:28 +0000
parents a97dcfc23b4b
children
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[ System ]
   1    2    3    4    5    6    7    8    9   10   11   12   13   14   15
  16   17   18   19   20   21   22   23   24   25   26   27   28   29   30
  31   32   33   34   35   36   37   38   39   40   41   42   43   44   45
  46   47   48   49   50   51   52   53   54   55   56   57   58   59   60
  61   62   63   64   65   66   67   68   69   70   71   72   73   74   75
  76   77   78   79   80   81   82   83   84   85   86   87   88   89   90
  91   92   93   94
[ Protein ]
   1    2    3    4    5    6    7    8    9   10   11   12   13   14   15
  16   17   18   19   20   21   22   23   24   25   26   27   28   29   30
  31   32   33   34   35   36   37   38   39   40   41   42   43   44   45
  46   47   48   49   50   51   52   53   54   55   56   57   58   59   60
  61   62   63   64   65   66   67   68   69   70   71   72   73   74   75
  76   77   78   79   80   81   82   83   84   85   86   87   88   89   90
  91   92
[ Protein-H ]
   1    5    7   10   13   16   19   23   24   25   27   29   31   35   39
  40   41   43   45   48   49   51   53   55   57   59   60   61   63   66
  67   68   70   72   75   78   81   83   84   87   90   91   92
[ C-alpha ]
   5   27   43   63   70
[ Backbone ]
   1    5   23   25   27   39   41   43   59   61   63   66   68   70   90
[ MainChain ]
   1    5   23   24   25   27   39   40   41   43   59   60   61   63   66
  67   68   70   90   91   92
[ MainChain+Cb ]
   1    5    7   23   24   25   27   29   39   40   41   43   45   59   60
  61   63   66   67   68   70   72   90   91   92
[ MainChain+H ]
   1    2    3    4    5   23   24   25   26   27   39   40   41   42   43
  59   60   61   62   63   66   67   68   69   70   90   91   92
[ SideChain ]
   6    7    8    9   10   11   12   13   14   15   16   17   18   19   20
  21   22   28   29   30   31   32   33   34   35   36   37   38   44   45
  46   47   48   49   50   51   52   53   54   55   56   57   58   64   65
  71   72   73   74   75   76   77   78   79   80   81   82   83   84   85
  86   87   88   89
[ SideChain-H ]
   7   10   13   16   19   29   31   35   45   48   49   51   53   55   57
  72   75   78   81   83   84   87
[ Prot-Masses ]
   1    2    3    4    5    6    7    8    9   10   11   12   13   14   15
  16   17   18   19   20   21   22   23   24   25   26   27   28   29   30
  31   32   33   34   35   36   37   38   39   40   41   42   43   44   45
  46   47   48   49   50   51   52   53   54   55   56   57   58   59   60
  61   62   63   64   65   66   67   68   69   70   71   72   73   74   75
  76   77   78   79   80   81   82   83   84   85   86   87   88   89   90
  91   92
[ non-Protein ]
  93   94
[ Ion ]
  93   94
[ CL ]
  93   94