MODELLER 6v2, 17 Feb 2002 PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2002 Andrej Sali All Rights Reserved Written by A. Sali with help from A. Fiser, R. Sanchez, M.A. Marti-Renom, B. Jerkovic, A. Badretdinov, F. Melo, J.P. Overington & E. Feyfant Rockefeller University, New York, USA Harvard University, Cambridge, USA Imperial Cancer Research Fund, London, UK Birkbeck College, University of London, London, UK Kind, OS, HostName, Kernel, Processor: 4, Linux sprite 2.4.20-8 i686 Date and time of compilation : 07/16/2002 11:42:16 Job starting time (YY/MM/DD HH:MM:SS): 2003/10/01 14:34:46.060 TOP_________> 105 705 SET ALNFILE = '1.ali' TOP_________> 106 706 SET KNOWNS = '1EVQ|A''1JJI|A' TOP_________> 107 707 SET SEQUENCE = 'P23872|AES_ECOLI' TOP_________> 108 708 SET ATOM_FILES_DIRECTORY = '/u/praktikum/daten/homologe58; ' TOP_________> 109 709 SET STARTING_MODEL = 1 TOP_________> 110 710 SET ENDING_MODEL = 1 TOP_________> 111 711 CALL ROUTINE = 'model' TOP_________> 112 399 CALL ROUTINE = 'getnames' TOP_________> 113 509 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION; = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATENA; TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' TOP_________> 114 510 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI; ON = 'EQ', THEN = 'STRING_OPERATE OPERATION = CONCATE; NATE, STRING_ARGUMENTS = SEQUENCE .rsr, RESULT = CSRFILE; ' TOP_________> 115 511 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.sch', RESULT = SCHFILE TOP_________> 116 512 STRING_OPERATE OPERATION = 'CONCATENATE', ; STRING_ARGUMENTS = SEQUENCE '.mat', RESULT = MATRIX_FI; LE TOP_________> 117 513 SET ROOT_NAME = SEQUENCE TOP_________> 118 514 RETURN TOP_________> 119 400 CALL ROUTINE = 'homcsr' TOP_________> 120 106 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE; NCE Dynamically allocated memory at amaxseq [B,kB,MB]: 2210071 2158.272 2.108 openf5__224_> Open 11 OLD SEQUENTIAL 1.ali Dynamically allocated memory at amaxbnd [B,kB,MB]: 7158525 6990.747 6.827 openf5__224_> Open 11 OLD SEQUENTIAL 1.ali read_al_374_> Non-standard residue type,position,sequence: X 59 1 read_al_374_> Non-standard residue type,position,sequence: X 70 1 read_al_374_> Non-standard residue type,position,sequence: X 224 1 read_al_374_> Non-standard residue type,position,sequence: X 225 1 Read the alignment from file : 1.ali Total number of alignment positions: 324 # Code #_Res #_Segm PDB_code Name ------------------------------------------------------------------------------- 1 1EVQ|A 310 1 1EVQ|A 2 1JJI|A 311 1 1JJI|A 3 P23872|AE 319 1 P23872|AES_ TOP_________> 121 107 CHECK_ALIGNMENT check_a_343_> >> BEGINNING OF COMMAND pdbnam__217W> Filename for PDB code not found: 1EVQ|A Directories: /u/praktikum/daten/homologe58 Extensions : :.atm:.pdb:.ent:.crd rdabrk__288W> Protein not accepted: 1 pdbnam__217W> Filename for PDB code not found: 1JJI|A Directories: /u/praktikum/daten/homologe58 Extensions : :.atm:.pdb:.ent:.crd rdabrk__288W> Protein not accepted: 2 check_a_337E> Structure not read in: 1 recover____E> ERROR_STATUS >= STOP_ON_ERROR: 1 1 Dynamically allocated memory at finish [B,kB,MB]: 7158525 6990.747 6.827 Starting time : 2003/10/01 14:34:46.060 Closing time : 2003/10/01 14:34:47.403 Total CPU time [seconds] : 1.31