I have the following script and alignment files and these work fine under mod6v2:
TOP FILE:
INCLUDE # Include the predefined TOP routines
SET OUTPUT_CONTROL = 1 1 1 1 1 SET ALNFILE = 'TYMS_G157V.aln' # alignment filename SET KNOWNS = '1HW3' SET SEQUENCE = 'TYMS_G157V' SET HETATM_IO = on SET HYDROGEN_IO = on SET ATOM_FILES_DIRECTORY = './' # directories for input atom files SET STARTING_MODEL= 1 # index of the first model SET ENDING_MODEL = 1 # index of the last model # (determines how many models to calculate)
CALL ROUTINE = 'model' # do homology modelling
ALIGN FILE: >P1;1HW3 structureX:1HW3:26 :A:310:A :TYMS:Homo Sapiens:-1.00:-1.00 PPHGELQYLGQIQHILR-GVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVL EELLWFIKGSTNAKELSSKGV----------------------GDLGPVYGFQWRHFGAE YRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIM-AWNPRDLPLMALPP-HAL-QFYVVN SELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPL KIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME * >P1;TYMS_G157V sequence:TYMS_G157V: : : : :::-1.00:-1.00 PPHGELQYLGQIQHILR-GVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVL EELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAE YRDMESDYSGQVVDQLQRVIDTIKTNPDDRRIIM-AWNPRDLPLMALPP-HAL-QFYVVN SELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPL KIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKME *
Running the same files under version mod7v7 the program stops withe following LOG file: rdactio_534E> Command not recognized: recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1
There is some differnece between input files for 6 and 7 versions?
Thanks edoardo