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Re: [modeller_usage] modeller error



Hi, 

You haven't said anything about the alignment file, seqalin.ali. You 
should have this file in the same directory where you have placed the .top 
file

raghu

On Mon, 7 Mar 2005, rathankar rao wrote:

> Dear sir
> i have just started using modeller7v7 but have landed in to some problems.i have a few doubts
> 1. which directory should i place the top files, ali files and the pdb files. i placed top files in the bin, pdb files in atom-files directory. and tried to run the command, but it shows this error
>  
> 
>                          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, PROJECTBT, 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): 2004/12/27  13:26:51.093
> TOP_________>   109  749 SET ALNFILE  = 'seqalin.ali' 
>  
> TOP_________>   110  750 SET KNOWNS   = '1ocs' 
>  
> TOP_________>   111  751 SET SEQUENCE = 'yhr' 
>  
> TOP_________>   112  752 SET ATOM_FILES_DIRECTORY = './:../atom_files' 
>  
> TOP_________>   113  753 SET STARTING_MODEL = 1 
>  
> TOP_________>   114  754 SET ENDING_MODEL  = 1 
>  
> TOP_________>   115  755 CALL ROUTINE = 'model' 
>  
> TOP_________>   116  419 CALL ROUTINE = 'getnames' 
>  
> TOP_________>   117  534 STRING_IF STRING_ARGUMENTS = MODEL 'undefined', OPERATION;
>                        = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATENA;
>                       TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL' 
>  
> TOP_________>   118  535 STRING_IF STRING_ARGUMENTS = CSRFILE 'undefined', OPERATI;
>                       ON = 'EQ', THEN =     'STRING_OPERATE OPERATION = CONCATE;
>                       NATE, STRING_ARGUMENTS = SEQUENCE .rsr,  RESULT = CSRFILE;
>                       ' 
>  
> TOP_________>   119  536 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
>                          STRING_ARGUMENTS = SEQUENCE '.sch',  RESULT = SCHFILE 
>  
> TOP_________>   120  537 STRING_OPERATE OPERATION = 'CONCATENATE',                ;
>                         STRING_ARGUMENTS = SEQUENCE '.mat',  RESULT = MATRIX_FI;
>                       LE 
>  
> TOP_________>   121  538 SET ROOT_NAME = SEQUENCE 
>  
> TOP_________>   122  539 RETURN 
>  
> TOP_________>   123  420 CALL ROUTINE = 'homcsr' 
>  
> TOP_________>   124  112 READ_ALIGNMENT FILE = ALNFILE, ALIGN_CODES = KNOWNS SEQUE;
>                       NCE 
>  
> Dynamically allocated memory at         amaxseq [B,kB,MB]:        84067      82.097     0.080
> fullfn__230E> File not found:  seqalin.ali
>               Directories:  
>               Extensions :  :.ali
>               Prefixes   : nothing, pdb
> recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1
> Dynamically allocated memory at          finish [B,kB,MB]:        84067      82.097     0.080
> Starting time                                            : 2004/12/27  13:26:51.093
> Closing time                                             : 2004/12/27  13:26:52.078
> Total CPU time [seconds]                                 :       0.97
> 
> 
> 		
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