** MODELLER Support ** RE: starting modeller: what's wrong?

["Bozidar" <>]

Hi,

It looks like you don't have the top file you are trying to execute in
the same dir from which you are invoking mod6v1. Installation looks OK,
since executable runs, but you need to specify .top file as an input for
the MODELLER.

Please refer to the manual for more details. Just don't give up. It's
very frustrating at the beginning. Feel free to ask any questions you
might have.

Happy modeling,
Bozidar



-----Original Message-----
From: 
[">mailto:] On Behalf Of Ari M.
Siqueira
Sent: Wednesday, February 27, 2002 3:09 PM
To: 
Subject: starting modeller: what's wrong?



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