pipe.create() user function -- May 27, 2011 - 23:40

Hello,

I am getting the error
RelaxError: No data pipes currently exist.  Please use the pipe.create()
user function first
for most of the scripts I am trying to run.
Here is the output for my attempt to run dasha.py :

*********************************************************************

rulelab-desktop:/usr/local/relax-1.3.10/run_scripts> sudo relax dasha.py



                                            relax 1.3.10

                              Molecular dynamics by NMR data analysis

                             Copyright (C) 2001-2006 Edward d'Auvergne
                         Copyright (C) 2006-2011 the relax development team

This is free software which you are welcome to modify and redistribute
under the conditions of the
GNU General Public License (GPL).  This program, including all modules, is
licensed under the GPL
and comes with absolutely no warranty.  For details type 'GPL' within the
relax prompt.

Assistance in using the relax prompt and scripting interface can be
accessed by typing 'help' within
the prompt.

ImportError: relaxation curve fitting is unavailable, the corresponding C
modules have not been compiled.

script = 'dasha.py'
----------------------------------------------------------------------------------------------------
# Script for model-free analysis using the program Dasha.

# Set the data pipe names (also the names of preset model-free models).
#pipes = ['m1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9']
pipes = ['m1', 'm2', 'm3', 'm4', 'm5']

# Nuclei type
value.set('15N', 'heteronucleus')

# Loop over the pipes.
for name in pipes:
    # Create the data pipe.
    pipe.create(name, 'mf')

    # Load the sequence.
    sequence.read('noe.500.out', res_num_col=1)

    # Load a PDB file.
    #structure.read_pdb('example.pdb')

    # Load the relaxation data.
    relax_data.read('R1', '600', 600.0 * 1e6, 'r1.600.out', res_num_col=1,
data_col=3, error_col=4)
    relax_data.read('R2', '600', 600.0 * 1e6, 'r2.600.out', res_num_col=1,
data_col=3, error_col=4)
    relax_data.read('NOE', '600', 600.0 * 1e6, 'noe.600.out',
res_num_col=1, data_col=3, error_col=4)
    relax_data.read('R1', '500', 500.0 * 1e6, 'r1.500.out', res_num_col=1,
data_col=3, error_col=4)
    relax_data.read('R2', '500', 500.0 * 1e6, 'r2.500.out', res_num_col=1,
data_col=3, error_col=4)
    relax_data.read('NOE', '500', 500.0 * 1e6, 'noe.500.out',
res_num_col=1, data_col=3, error_col=4)

    # Setup other values.
    diffusion_tensor.init(10e-9, fixed=1)
    #diffusion_tensor.init((10e-9, 0, 0, 40, 30, 80), fixed=1)
    value.set(1.02 * 1e-10, 'bond_length')
    value.set(-172 * 1e-6, 'csa')

    # Select the model-free model.
    model_free.select_model(model=name)

    # Create the Dasha script.
    dasha.create(algor='NR', force=True)

    # Execute Dasha.
    dasha.execute()

    # Read the data.
    dasha.extract()

    # Write the results.
    results.write(file='results_dasha', force=True)
----------------------------------------------------------------------------------------------------

relax> value.set(val='15N', param='heteronucleus', spin_id=None)
RelaxError: No data pipes currently exist.  Please use the pipe.create()
user function first.

rulelab-desktop:/usr/local/relax-1.3.10/run_scripts>

***********************************************************

Has anyone else faced this problem ?? I am using Ubuntu 10.10 OS.
The strange thing is that sometimes when I copy paste the script into a
new text file and rename it as something-else.py, it works !
With dasha.py, even this is not helping. I am sorry if it sounds weird but
I am really puzzled as well.

Thanks,
Shantanu S. Bhattacharyya

-- 
Shantanu S. Bhattacharyya
Grad Student, Biological Sciences
Carnegie Mellon University
url : http://esesbee.com