Hi Mengjun, It appears that you are running relax incorrectly here. Maybe I'll modify the relax user manual a little to better cater for MS Windows users. By double clicking on 'relax.py', you will launch relax in the prompt mode and not in the script mode, and typing the name of a file within the prompt mode is always give you a NameError. For the script mode, you have to have Windows PowerShell installed. Then from within the PowerShell, you will need to type:
PS C:\directory with your script> relax mf_multimodel.py Note that you need to be in the directory where the script is located. If you system does not support PowerShell, then you will have to run the ancient 'cmd' program instead. If you encounter such problems, I would recommend first sending a message to the [email protected] mailing list and then if the problem is identified as a genuine bug, then a bug report can be submitted. Cheers, Edward On 17 September 2012 18:30, anonymous <[email protected]> wrote: > URL: > <http://gna.org/bugs/?20174> > > Summary: run mf_multimodel.py in relax > Project: relax > Submitted by: None > Submitted on: Mon 17 Sep 2012 04:30:17 PM UTC > Category: relax sample scripts > Severity: 3 - Normal > Priority: 5 - Normal > Status: None > Privacy: Public > Assigned to: None > Originator Name: > Originator Email: [email protected] > Open/Closed: Open > Discussion Lock: Any > Release: 2.1.0 > Operating System: Microsoft Windows > > _______________________________________________________ > > Details: > > I started relax script mode by clicking the relax.py, and type mf_multimodel, > but Relax did not continue to perform calculations, and a error window came > up: > > > > relax 2.1.0 > > Molecular dynamics by NMR data analysis > > Copyright (C) 2001-2006 Edward d'Auvergne > Copyright (C) 2006-2012 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. > > Processor fabric: Uni-processor. > > mf_multimodel.py > Traceback (most recent call last): > File "<input>", line 1, in <module> > NameError: name 'mf_multimodel' is not defined > > > > the text version of mf_multimodel.py is shown in following: > > ############################################################################### > # > # > # Copyright (C) 2003-2012 Edward d'Auvergne > # > # > # > # This file is part of the program relax (http://www.nmr-relax.com). > # > # > # > # This program is free software: you can redistribute it and/or modify > # > # it under the terms of the GNU General Public License as published by > # > # the Free Software Foundation, either version 3 of the License, or > # > # (at your option) any later version. > # > # > # > # This program is distributed in the hope that it will be useful, > # > # but WITHOUT ANY WARRANTY; without even the implied warranty of > # > # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the > # > # GNU General Public License for more details. > # > # > # > # You should have received a copy of the GNU General Public License > # > # along with this program. If not, see <http://www.gnu.org/licenses/>. > # > # > # > ############################################################################### > > """This script performs a model-free analysis for the models 'm0' to 'm9' (or > 'tm0' to 'tm9').""" > > > # Set the data pipe names (also the names of preset model-free models). > #pipes = ['tm0', 'tm1', 'tm2', 'tm3', 'tm4', 'tm5', 'tm6', 'tm7', 'tm8', > 'tm9'] > pipes = ['m0', 'm1', 'm2', 'm3', 'm4', 'm5', 'm6', 'm7', 'm8', 'm9'] > > # Loop over the pipes. > for name in pipes: > # Create the data pipe. > pipe.create(name, 'mf') > > # Set up the 15N spins. > sequence.read('noe.500.out', res_num_col=1) > spin.name('N') > spin.element(element='N', spin_id='@N') > spin.isotope('15N', spin_id='@N') > > # Load a PDB file. > structure.read_pdb(file='C:\\Documents and Settings\\Mengjun > Xue\\Desktop\\Relax bugs\\Relax\\tutorial_pdc\\tutorial_pdc\\1UBQ_H.pdb', > dir=None, read_mol=None, set_mol_name=None, read_model=None, > set_model_num=None, parser='internal') > > # Load the relaxation data. > bruker.read(ri_id='noe_600', file='C:\\Documents and Settings\\Mengjun > Xue\\Desktop\\Relax bugs\\Relax\\NOE demo.txt', dir=None) > bruker.read(ri_id='r1_600', file='C:\\Documents and Settings\\Mengjun > Xue\\Desktop\\Relax bugs\\Relax\\T1 demo.txt', dir=None) > bruker.read(ri_id='r2_600', file='C:\\Documents and Settings\\Mengjun > Xue\\Desktop\\Relax bugs\\Relax\\T2 demo.txt', dir=None) # Set up the > diffusion tensor. > diffusion_tensor.init(1e-8, fixed=True) > #diffusion_tensor.init((1e-8, 1.0, 60, 290), param_types=0, > spheroid_type='oblate', fixed=True) > > # Generate the 1H spins for the magnetic dipole-dipole relaxation > interaction. > sequence.attach_protons() > > # Define the magnetic dipole-dipole relaxation interaction. > dipole_pair.define(spin_id1='@N', spin_id2='@H', direct_bond=True) > dipole_pair.set_dist(spin_id1='@N', spin_id2='@H', ave_dist=1.02 * 1e-10) > structure.get_pos('@N') > structure.get_pos('@H') > dipole_pair.unit_vectors() > > # Define the chemical shift relaxation interaction. > value.set(-172 * 1e-6, 'csa', spin_id='@N') > > # Select the model-free model. > model_free.select_model(model=name) > > # Minimise. > grid_search(inc=11) > minimise('newton') > > # Write the results. > results.write(file='results', force=True) > > # Save the program state. > state.save('save', force=True) > > > > > > _______________________________________________________ > > File Attachments: > > > ------------------------------------------------------- > Date: Mon 17 Sep 2012 04:30:17 PM UTC Name: mf_multimodel.py Size: 4kB By: > None > > <http://gna.org/bugs/download.php?file_id=16587> > > _______________________________________________________ > > Reply to this item at: > > <http://gna.org/bugs/?20174> > > _______________________________________________ > Message sent via/by Gna! > http://gna.org/ > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-devel mailing list > [email protected] > > To unsubscribe from this list, get a password > reminder, or change your subscription options, > visit the list information page at > https://mail.gna.org/listinfo/relax-devel _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-users mailing list [email protected] To unsubscribe from this list, get a password reminder, or change your subscription options, visit the list information page at https://mail.gna.org/listinfo/relax-users
