- Suse linux 8.1
my files are:
me Top File
bioinf@bioinf4:/usr/local/bin/modeller6v2/work> more
modelo.top
INCLUDE
# Include the predefined TOP routines
SET OUTPUT_CONTROL = 1 1 1 1 1 # uncomment
to produce a large log file
SET ALNFILE = 'alignment.ali' #
alignment filename
SET KNOWNS =
'1f36A'
# codes of the templates
SET SEQUENCE =
'sec1'
# code of the target
SET ATOM_FILES_DIRECTORY = '/data1'
SET STARTING_MODEL=
1
# index of the first model
SET ENDING_MODEL =
1
# index of the last model (determines how many models tocalculate)
CHECK_ALIGNMENT
CALL ROUTINE =
'model'
# do homology modelling
the files:
bioinf@bioinf4:/usr/local/bin/modeller6v2/work> ls -al
total 188
drwxr-xr-x 2 bioinf
users 216 2003-04-21
14:31 .
drwxrwxrwx 5 wwwrun
root 120 2003-04-21
14:28 ..
-rw-r--r-- 1 bioinf
users 281 2003-04-21
14:29 alignment.ali
-rw-r--r-- 1 bioinf
users 643 2003-04-21
14:31 modelo.top
-rw-r--r-- 1 bioinf
users 175446 2003-04-21 14:29
pdb1f36.ent
log file
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 bioinf4 2.4.19-4GB
i686
Date and time of
compilation : 07/16/2002
11:42:16
Job starting time (YY/MM/DD HH:MM:SS): 2003/04/21
14:31:58.119
TOP_________> 105 705 SET ALNFILE =
'alignment.ali'
TOP_________> 106 706 SET KNOWNS =
'1f36A'
TOP_________> 107 707 SET SEQUENCE = 'sec1'
TOP_________> 108 708 SET ATOM_FILES_DIRECTORY =
'/data1'
TOP_________> 109 709 SET STARTING_MODEL = 1
TOP_________> 110 710 SET ENDING_MODEL = 1
TOP_________> 111 711 CHECK_ALIGNMENT
check_a_343_> >> BEGINNING OF COMMAND
check_a_335E> No alignment.
recover____E> ERROR_STATUS >=
STOP_ON_ERROR:
1 1
Dynamically allocated memory
at finish
[B,kB,MB]: 2200483
2148.909 2.099
Starting
time
: 2003/04/21 14:31:58.119
Closing
time
: 2003/04/21 14:32:01.072
Total CPU time
[seconds]
: 2.93
what is a problem?