Hi Vineet,
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From your log messages, you are reading multiple files into relax.
Can you complete a model-free analysis with this? If so, could you
created a bug report for this problem? What does the log message look
like when you get to the grid search or optimisation?
Cheers,
Edward
On 14 May 2014 18:30, Panwalkar, Vineet <v.panwalkar@xxxxxxxxxxxxx> wrote:
Hi Ed,
I had a look at the log files. I reckon all the models within my ensemble
are added in. Unless I've understood the logs all wrong. Following is the
excerpt from the logs related to the PDB parser..
relax> structure.read_pdb(file=relax_input.pdb', dir=None, read_mol=None,
set_mol_name='protein', read_model=None, set_model_num=None, alt_loc=None,
merge=False)
Internal relax PDB parser.
Opening the file 'relax_input.pdb' for reading.
Adding molecule 'protein' to model 1 (from the original molecule number 1
of model 1)
Adding molecule 'protein' to model 2 (from the original molecule number 1
of model 2)
Adding molecule ''protein' to model 3 (from the original molecule number 1
of model 3)
Adding molecule ''protein' to model 4 (from the original molecule number 1
of model 4)
Adding molecule 'protein' to model 5 (from the original molecule number 1
of model 5)
Adding molecule ''protein' to model 6 (from the original molecule number 1
of model 6)
Adding molecule ''protein' to model 7 (from the original molecule number 1
of model 7)
Adding molecule 'protein' to model 8 (from the original molecule number 1
of model 8)
Adding molecule ''protein' to model 9 (from the original molecule number 1
of model 9)
Adding molecule ''protein' to model 10 (from the original molecule number 1
of model 10)
Adding molecule ''protein' to model 11 (from the original molecule number 1
of model 11)
Adding molecule ''protein' to model 12 (from the original molecule number 1
of model 12)
Adding molecule ''protein' to model 13 (from the original molecule number 1
of model 13)
Adding molecule ''protein' to model 14 (from the original molecule number 1
of model 14)
Adding molecule ''protein' to model 15 (from the original molecule number 1
of model 15)
Regards,
Vineet
Re: Re: