Re: full_analysys problem: 'All parameters are fixed' -- February 11, 2009 - 21:51

On Wed, Feb 11, 2009 at 8:45 PM, Pierre-Yves Savard
<Pierre-Yves.Savard@xxxxxxxxxxxxx> wrote:
> Hi Edward,
>
> Thank you again for your reply.
>
> Here are some clarifications:
>
> 1. I have attached the script I am using (full_analysis-sphere.py).

Cheers.


> 2. In fact, SEQ_ARGS[6] is set to an integer value of 2, which refers to
> the spin_name_col in my .seq file:
>
>       ................
>       14 GLY N
>       15 ALA N
>       16 GLN N
>      .................

Sorry, I thought you set this to 'N' which was really confusing.


> That part works well for me now. However, if I don't set the
> spin_name_col, and rely on the code you added (... spin.name(HET_NAME)),
> I get the following error:
>
>    relax> spin.name(spin_id='N', name=None)
>    RelaxError: The new spin name argument None must be a string.

Ok, this is my fault.  I didn't realise the spin ID was the first
argument.  This can be fixed changing the line to
"spin.name(name=HET_NAME)".  I'll add this to the repository.  This
fix should hopefully be sufficient.  Otherwise, I now have almost all
the information I need to hunt down any other bugs that appear.

Regards,

Edward