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 genoma5 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): 2004/07/27  18:13:57.272

TOP_________>   111  711 SET FINAL_MALIGN3D = 1 
 
TOP_________>   112  712 CALL ROUTINE = 'very_fast' 
 
TOP_________>   113   57 SET MAX_CA-CA_DISTANCE = 10.0 
 
TOP_________>   114   58 SET MAX_N-O_DISTANCE   =  6.0 
 
TOP_________>   115   59 SET MAX_SC-MC_DISTANCE =  5.0 
 
TOP_________>   116   60 SET MAX_SC-SC_DISTANCE =  4.5 
 
TOP_________>   117   61 SET RAND_METHOD = 'nothing' 
 
TOP_________>   118   62 SET MAX_VAR_ITERATIONS = 50 
 
TOP_________>   119   63 SET LIBRARY_SCHEDULE = 7 
 
TOP_________>   120   64 SET MD_LEVEL = 'nothing' 
 
TOP_________>   121   65 RETURN 
 
TOP_________>   122  713 CALL ROUTINE = 'model' 
 
TOP_________>   123  399 CALL ROUTINE = 'getnames' 
 
TOP_________>   124  509 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION;
                       = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATENA;
                      TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' 
 
TOP_________>   125  510 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI;
                      ON = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATE;
                      NATE, STRING_ARGUMENTS = SEQUENCE .rsr,  RESULT = CSRFILE;
                      ' 
 
TOP_________>   126  511 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
                         STRING_ARGUMENTS = SEQUENCE '.sch',  RESULT = SCHFILE 
 
TOP_________>   127  512 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
                        STRING_ARGUMENTS = SEQUENCE '.mat',  RESULT = MATRIX_FI;
                      LE 
 
TOP_________>   128  513 SET ROOT_NAME = SEQUENCE 
 
TOP_________>   129  514 RETURN 
 
TOP_________>   130  400 CALL ROUTINE = 'homcsr' 
 
TOP_________>   131  106 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE;
                      NCE 
 

Dynamically allocated memory at         amaxseq [B,kB,MB]:      2205269    2153.583     2.103
openf5__224_> Open       11  OLD  SEQUENTIAL  pri.ali

Dynamically allocated memory at         amaxbnd [B,kB,MB]:      3882961    3791.954     3.703
openf5__224_> Open       11  OLD  SEQUENTIAL  pri.ali

Read the alignment from file       : pri.ali
Total number of alignment positions:   106

  #  Code        #_Res #_Segm PDB_code    Name
-------------------------------------------------------------------------------
  1       1uw3     106      1        1uw3 
  2       1pri      61      1        1pri 
TOP_________>   132  107 CHECK_ALIGNMENT 
 
check_a_343_> >> BEGINNING OF COMMAND
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]:      3882961    3791.954     3.703
Starting time                                            : 2004/07/27  18:13:57.272
Closing time                                             : 2004/07/27  18:13:59.805
Total CPU time [seconds]                                 :       2.51