starting modeller: what's wrong? - modeller_usage

27 Feb 2002


      Hi,
I have just installed Modeller 6.0v1 on my P-III, Conectiva Linux
(RH-like), under /usr/local/bin/modeller6v1/
My .bashrc reads:
# .bashrc
# User specific aliases and functions
# Source global definitions
if [ -f /etc/bashrc ]; then
        . /etc/bashrc
fi
### begin MODELLER6v1
######################################################
MODINSTALL6v1=/usr/local/bin/modeller6v1
EXECUTABLE_TYPE6v1=i386-absoft
LIBS_LIB6v1=$MODINSTALL6v1/modlib/libs.lib
KEY_MODELLER6v1=XXX
mod=mod6v1
export MODINSTALL6v1 EXECUTABLE_TYPE6v1 LIBS_LIB6v1 KEY_MODELLER6v1 mod
PATH=$PATH:$MODINSTALL6v1/bin
ulimit -S -s unlimited
### end MODELLER6v1
########################################################
Attempts to run Modeller:
1. When I try 'mod model-default'I get 'bash: mod: command not found'
2. When I try '/usr/local/bin/modeller6v1/bin/mod6v1 model-default'I get
'STOP'
3. When I try '/usr/local/bin/modeller6v1/bin/mod6v1_i386-absoft
model-default'
 I get something more interesting:
MODELLER 6v1, 17 Jan 2002
PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS
Copyright(c) 1989-2002 Andrej Sali
                            All Rights Reserved
Written by A. Sali
          with help from A. Fiser, R. Sanchez, M.A. Marti-Renom,
                   B. Jerkovic, A. Badretdinov, F. Melo,
                       J.P. Overington & E. Feyfant
                   Rockefeller University, New York, USA
                     Harvard University, Cambridge, USA
                 Imperial Cancer Research Fund, London, UK
             Birkbeck College, University of London, London, UK
Kind, OS, HostName, Kernel, Processor: 4, Linux home.localdomain
2.2.17-14cl i686
Date and time of compilation         : 01/24/2002 16:28:15
Job starting time (YY/MM/DD HH:MM:SS): 2002/02/27  16:50:50.084
fullfn__230E> File not found:  model-default
              Directories:  :${MODINSTALL6v1}/bin/
              Extensions :  .top:
              Prefixes   : nothing, pdb
recover____E> ERROR_STATUS >= STOP_ON_ERROR:        1       1
Dynamically allocated memory at          finish [B,kB,MB]:     
2190959    2139.608     2.089
Starting time                                            : 2002/02/27 
16:50:50.084
Closing time                                             : 2002/02/27 
16:50:51.154
Total CPU time [seconds]                                 :       1.03
 STOP
I trust someone can help me.
Yours thankfully,
Ari M. Siqueira, PhD
Associate Professor of Biochemistry
ICB - UFMG
Brazil