[modeller_usage] (no subject)

[karl schweighofer <>]

Hello,
I am trying to protonate at ADP molecule with modeller6. THe ADP residue is specified in the library, but I 
keep getting this error:

gener___479E> Must not use patching residues here.
              Residue type index, residue type:       33  #
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1


Here is the script for the protonation:
# This will read a specified atom file, generate all hydrogen atoms,
# add atomic radii and charges, and write the model to a PDB file in
# the GRASP format. This can be used with GRASP to display electrostatic
# properties without assigning charges and radii in GRASP.
INCLUDE
SET TOPLIB = '$(LIB)/TOP.LIB'
SET PARLIB = '$(LIB)/PAR.LIB'
READ_TOPOLOGY   FILE = '$(LIB)/TOP.LIB'
READ_PARAMETERS FILE = '$(LIB)/PAR.LIB'
SET TOPOLOGY_MODEL = 1, HYDROGEN_IO = on, HETATM_IO = on, WATER_IO = on
SET ATOM_FILES_DIRECTORY = './' # directories for input atom files
READ_MODEL FILE = 'adp.pdb'
RENAME_SEGMENTS SEGMENT_IDS = 'A'
SEQUENCE_TO_ALI ATOM_FILES = 'adp', ALIGN_CODES = 'adp'
SEQUENCE_TO_ALI ADD_SEQUENCE = on, ATOM_FILES = ATOM_FILES 'adp.pdb', ;
                ALIGN_CODES = ALIGN_CODES 'adp'
GENERATE_TOPOLOGY SEQUENCE = 'adp'
TRANSFER_XYZ
BUILD_MODEL INITIALIZE_XYZ = off, BUILD_METHOD = 'INTERNAL_COORDINATES'
WRITE_MODEL FILE = 'protoadp.pdb', MODEL_FORMAT = 'GRASP'


And here is the ADP PDB File:

HETATM  569  PB  ADP X  68      14.423  48.400   0.539
HETATM  570  O1B ADP X  68      15.523  47.578  -0.057
HETATM  571  O2B ADP X  68      14.303  48.106   2.067
HETATM  572  O3B ADP X  68      14.698  49.918   0.358
HETATM  573  PA  ADP X  68      11.796  47.376   0.153
HETATM  574  O1A ADP X  68      12.031  45.921   0.312
HETATM  575  O2A ADP X  68      11.228  48.083   1.373
HETATM  576  O3A ADP X  68      13.146  48.057  -0.376
HETATM  577  O5' ADP X  68      10.874  47.635  -1.110
HETATM  578  C5' ADP X  68      11.196  47.105  -2.379
HETATM  579  C4' ADP X  68      10.286  47.636  -3.486
HETATM  580  O4' ADP X  68       9.080  46.895  -3.526
HETATM  581  C3' ADP X  68       9.861  49.060  -3.289
HETATM  582  O3' ADP X  68       9.602  49.725  -4.510
HETATM  583  C2' ADP X  68       8.559  48.875  -2.526
HETATM  584  O2' ADP X  68       7.781  49.993  -2.657
HETATM  585  C1' ADP X  68       7.956  47.654  -3.193
HETATM  586  N9  ADP X  68       7.087  46.896  -2.257
HETATM  587  C8  ADP X  68       7.503  45.956  -1.333
HETATM  588  N7  ADP X  68       6.392  45.519  -0.679
HETATM  589  C5  ADP X  68       5.314  46.174  -1.216
HETATM  590  C6  ADP X  68       3.977  46.114  -0.937
HETATM  591  N6  ADP X  68       3.529  45.338   0.072
HETATM  592  N1  ADP X  68       3.138  46.928  -1.662
HETATM  593  C2  ADP X  68       3.573  47.780  -2.658
HETATM  594  N3  ADP X  68       4.896  47.853  -2.965
HETATM  595  C4  ADP X  68       5.741  47.039  -2.222


Any ideas why this won't work?

Thanks kindly,

Karl Schweighofer