Hi modellers..
Today, i met this message from modeller....but i can not
understand why this occurs....
i retrived 3TAT.pdb file from www.pdb.org and prepared ate1.ali file from
ClustalW in PIR format...
The related files and log file are below....
why modeller give me the 'sequence not read in'
message??
Byung-Kwan
- ate1.ali file
>P1;ate1
sequence:ate1:1: :397: :ArATEs:Enterobacter_sp:
:
MFQKVDAYAGDPILSLMER.....QRVAQAFAAVM*
>P1;3TAT
sequenceX:3TAT: :A:
:A:ArATEc:Escherichia_coli:
:
MFQKVDAYAGDPILTLMER.....QRVAKAFAAVM*
- 3TAT.pdb
- ate1.top
# Homology modelling by the MODELLER TOP
INCLUDE
SET OUTPUT_CONTROL = 1 1 1 1 1
SET ALNFILE = 'ate1.ali'
SET
KNOWNS = '3TAT'
SET SEQUENCE = 'ate1'
SET ATOM_FILES_DIRECTORY =
'/usr/bin/modeller6v1/examples/tutorial-model/atm/'
SET STARTING_MODEL=
1
SET ENDING_MODEL= 5
SET RAND_SEED = '76077'
SET MD_LEVEL =
'refine1'
CALL ROUTINE = 'model'
-
ate1.log
MODELLER 6v1, 17 Jan 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 localhost 2.2.18-10
i686
Date and time of
compilation : 01/24/2002
16:28:15
Job starting time (YY/MM/DD HH:MM:SS): 2002/09/03
13:59:14.415
TOP_________> 105 705 SET ALNFILE = 'ate1.ali'
TOP_________> 106 706 SET KNOWNS = '3TAT'
TOP_________> 107 707 SET SEQUENCE =
'ate1'
TOP_________> 108 708 SET
ATOM_FILES_DIRECTORY = './:'
TOP_________>
109 709 SET STARTING_MODEL = 1
TOP_________>
110 710 SET ENDING_MODEL = 5
TOP_________>
111 711 SET RAND_SEED = '76077'
TOP_________> 112 712 SET MD_LEVEL =
'refine1'
TOP_________> 113 713 CALL ROUTINE
= 'model'
TOP_________> 114 398 CALL ROUTINE
= 'getnames'
TOP_________> 115 508 STRING_IF
STRING_ARGUMENTS = MODEL 'undefined',
OPERATION;
= 'EQ', THEN = 'STRING_OPERATE OPERATION =
CONCATENA;
TE, STRING_ARGUMENTS = SEQUENCE .ini, RESULT = MODEL'
TOP_________> 116 509 STRING_IF
STRING_ARGUMENTS = CSRFILE 'undefined',
OPERATI;
ON = 'EQ', THEN = 'STRING_OPERATE OPERATION =
CONCATE;
NATE, STRING_ARGUMENTS = SEQUENCE .rsr, RESULT =
CSRFILE;
'
TOP_________> 117 510 STRING_OPERATE
OPERATION =
'CONCATENATE',
;
STRING_ARGUMENTS = SEQUENCE '.sch', RESULT = SCHFILE
TOP_________> 118 511 STRING_OPERATE
OPERATION =
'CONCATENATE',
;
STRING_ARGUMENTS = SEQUENCE '.mat', RESULT =
MATRIX_FI;
LE
TOP_________> 119 512 SET ROOT_NAME =
SEQUENCE
TOP_________> 120 513 RETURN
TOP_________> 121 399 CALL ROUTINE = 'homcsr'
TOP_________> 122 106 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
ate1.ali
Dynamically allocated memory
at amaxbnd
[B,kB,MB]: 7974421
7787.521 7.605
openf5__224_>
Open 11 OLD SEQUENTIAL
ate1.ali
Read the alignment from file :
ate1.ali
Total number of alignment positions: 397
# Code #_Res #_Segm
PDB_code
Name
-------------------------------------------------------------------------------
1 3TAT
397 1
3TAT ArATEc
2
ate1 397
1 ate1
ArATEs
TOP_________> 123 107 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]: 7974421
7787.521 7.605
Starting
time
: 2002/09/03 13:59:14.415
Closing
time
: 2002/09/03 13:59:15.159
Total CPU time
[seconds]
: 0.70