MODELLER 7v7, Sep 12, 2004 09:15pm

     PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS

                                                                   
                     Copyright(c) 1989-2004 Andrej Sali            
                            All Rights Reserved                    
                                                                   
                             Written by A. Sali                    
                               with help from                      
           B. Webb, M.S. Madhusudhan, M-Y. Shen, M.A. Marti-Renom, 
                     N. Eswar, F. Alber, B. Oliva, A. Fiser,       
                    R. Sanchez, B. Yerkovich, A. Badretdinov,      
                      F. Melo, J.P. Overington, E. Feyfant         
                 University of California, San Francisco, USA      
                    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, Win2000 build  2195 Service Pack 4, BT-PROJECT, uni, x86 Family  15 Model  2 Stepping  9
Date and time of compilation         : 09/13/2004 17:17:22
Job starting time (YY/MM/DD HH:MM:SS): 2005/09/08  12:39:08.968

TOP_________>   116  756 CALL ROUTINE    = 'model' 
 
TOP_________>   117  419 CALL ROUTINE = 'getnames' 
 
TOP_________>   118  534 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION;
                       = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATENA;
                      TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' 
 
TOP_________>   119  535 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI;
                      ON = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATE;
                      NATE, STRING_ARGUMENTS = SEQUENCE .rsr,  RESULT = CSRFILE;
                      ' 
 
TOP_________>   120  536 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
                         STRING_ARGUMENTS = SEQUENCE '.sch',  RESULT = SCHFILE 
 
TOP_________>   121  537 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
                        STRING_ARGUMENTS = SEQUENCE '.mat',  RESULT = MATRIX_FI;
                      LE 
 
TOP_________>   122  538 SET ROOT_NAME = SEQUENCE 
 
TOP_________>   123  539 RETURN 
 
TOP_________>   124  420 CALL ROUTINE = 'homcsr' 
 
TOP_________>   125  112 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE;
                      NCE 
 

Dynamically allocated memory at         amaxseq [B,kB,MB]:       138771     135.519     0.132
openf5__224_> Open       20  OLD  SEQUENTIAL  alignm.ali

Dynamically allocated memory at         amaxbnd [B,kB,MB]:      8375875    8179.565     7.988
openf5__224_> Open       20  OLD  SEQUENTIAL  alignm.ali

Read the alignment from file       : alignm.ali
Total number of alignment positions:   359

  #  Code        #_Res #_Segm PDB_code    Name
-------------------------------------------------------------------------------
  1       2PIA     249      1        2PIA Oxido
  2       1GVH      50      1        1GVH oxido
  3       1TVC      98      1        1TVC oxidored
  4       1KRH      43      1        1KRH Oxidored
  5       2CND     113      1        2CND oxidored
  6       1QGA      38      1        1QGA oxidored
  7       1H42      45      1        1H42 ZNFING
  8       1FNC      48      1        1FNC ZNFING
  9       1RFK      88      1        1RFK ZNFING
 10     reduct     350      1      reduct hypo
TOP_________>   126  113 STRING_IF STRING_ARGUMENTS = TOP_VERSION 'accelrys', OPER;
                      ATION = 'ne', THEN = 'GO_TO __ACCELRYS1' 
 
TOP_________>   127  117 CHECK_ALIGNMENT 
 
check_a_343_> >> BEGINNING OF COMMAND
openf5__224_> Open       11  OLD  SEQUENTIAL  ./\2PIA.pdb
rdabrk__290E> Number of residues in the alignment and  pdb files are different:      249      313
              For alignment entry:        1
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1

Dynamically allocated memory at          finish [B,kB,MB]:      8377225    8180.884     7.989
Starting time                                            : 2005/09/08  12:39:08.968
Closing time                                             : 2005/09/08  12:39:10.687
Total CPU time [seconds]                                 :       1.30