Dear All,

  I have following definition of ligands in my active site:
  ATOM   5137  N1 APPE C   1     -40.239 -29.350  18.293  0.59  8.21 
        N
  ATOM   5138  C2 APPE C   1     -39.254 -30.307  18.165  0.59 10.70 
        C
  ATOM   5139  C2AAPPE C   1     -39.474 -31.666  18.747  0.59  9.96 
        C
  ATOM   5140  C3 APPE C   1     -38.079 -29.961  17.488  0.59 10.13 
        C
  ATOM   5141  O3 APPE C   1     -37.106 -30.887  17.367  0.59  8.86 
        O
  ATOM   5142  C4 APPE C   1     -37.874 -28.683  16.941  0.59 10.62 
        C
  ATOM   5143  C4AAPPE C   1     -36.598 -28.344  16.224  0.59 11.03 
        C
  ATOM   5144  C5 APPE C   1     -38.901 -27.761  17.083  0.59  9.51 
        C
  ATOM   5145  C6 APPE C   1     -40.079 -28.104  17.771  0.59  9.06 
        C
  ATOM   5146  C5AAPPE C   1     -38.837 -26.339  16.571  0.59  9.74 
        C
  ATOM   5147  OP4APPE C   1     -38.192 -25.660  17.528  0.59 11.01 
        O
  ATOM   5148  P  APPE C   1     -37.211 -24.252  17.069  0.59  8.36 
        P
  ATOM   5149  OP1APPE C   1     -36.829 -23.753  18.440  0.59  7.37 
        O
  ATOM   5150  OP2APPE C   1     -36.112 -24.904  16.261  0.59  8.91 
        O
  ATOM   5151  OP3APPE C   1     -38.185 -23.407  16.274  0.59  8.73 
        O
  ATOM   5152  NA APPE C   1     -35.911 -29.545  15.698  0.59 22.82 
        N
  ATOM   5153  CAAAPPE C   1     -34.426 -29.329  15.564  0.59 24.98 
        C
  ATOM   5154  CBAAPPE C   1     -33.795 -30.418  14.648  0.59 25.08 
        C
  ATOM   5155  CGAAPPE C   1     -34.787 -30.926  13.587  0.59 28.56 
        C
  ATOM   5156  CDAAPPE C   1     -34.262 -32.127  12.747  0.59 30.07 
        C
  ATOM   5157  OE1APPE C   1     -35.110 -32.856  12.166  0.59 35.08 
        O
  ATOM   5158  OE2APPE C   1     -33.024 -32.329  12.667  0.59 34.57 
        O
  ATOM   5159  CA APPE C   1     -34.098 -27.871  14.984  0.59 25.52 
        C
  ATOM   5160  OA APPE C   1     -33.220 -27.198  15.579  0.59 29.48 
        O
  ATOM   5161  OXTAPPE C   1     -34.725 -27.498  13.981  0.59 24.97 
        O
  TER
  ATOM   5162  N  BGLU C   1     -35.225 -30.423  13.505  0.41 24.54 
        N
  ATOM   5163  CA BGLU C   1     -34.263 -30.199  14.581  0.41 24.18 
        C
  ATOM   5164  CB BGLU C   1     -32.935 -30.898  14.274  0.41 25.24 
        C
  ATOM   5165  CG BGLU C   1     -31.910 -30.821  15.397  0.41 22.56 
        C
  ATOM   5166  CD BGLU C   1     -31.467 -32.180  15.868  0.41 23.47 
        C
  ATOM   5167  OE1BGLU C   1     -32.350 -32.913  16.366  0.41 10.47 
        O
  ATOM   5168  OE2BGLU C   1     -30.253 -32.504  15.734  0.41  7.74 
        O
  ATOM   5169  C  BGLU C   1     -34.037 -28.707  14.797  0.41 24.08 
        C
  ATOM   5170  O  BGLU C   1     -33.448 -28.284  15.795  0.41 23.10 
        O
  ATOM   5171  OXTBGLU C   1     -34.462 -27.883  13.984  0.41 27.84 
        O
  TER

  When I do real space refinement for the PPE ligand it works fine 
(proper cif file is read in beforehand). However, refinement for GLU 
fails due to lack of restraints for GLU according to coot. It also fails 
when I read in extra cif for GLU myself.

  I've tried different naming/numbering schemes for PPE/GLU without success.

  I would appreciate Group members suggestion on how to proceed.

Regards, Andrzej Lyskowski

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