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Thanks,
I will look into the titration-Kd stuff next week.

When it comes to problem 1, there is nothing interesting in the console 
except this, which is probably irrelevant...

changing url (name 'chemElementData') from directory 
'/usr/local/ccpnmr/ccpnmr1.0/data/ccp/chemElement' to 
'/usr/local64/ccpnmr/ccpnmr1.0/data/ccp/chemElement'
changing url (name 'nmrExpPrototype') from directory 
'/usr/local/ccpnmr/ccpnmr1.0/data/ccp/nmrExpPrototype' to 
'/usr/local64/ccpnmr/ccpnmr1.0/data/ccp/nmrExpPrototype'
changing url (name 'chemCompData') from directory 
'/usr/local/ccpnmr/ccpnmr1.0/data/ccp/chemComp' to 
'/usr/local64/ccpnmr/ccpnmr1.0/data/ccp/chemComp'
changing url (name 'nmrReferenceData') from directory 
'/usr/local/ccpnmr/ccpnmr1.0/data/ccp/nmrReference' to 
'/usr/local64/ccpnmr/ccpnmr1.0/data/ccp/nmrReference'
changing url (name 'chemCompCoordData') from directory 
'/usr/local/ccpnmr/ccpnmr1.0/data/ccp/chemCompCoord' to 
'/usr/local64/ccpnmr/ccpnmr1.0/data/ccp/chemCompCoord'


I noticed this traceback when trying to generate a histogram, but still, 
I'm not the one to say if it is relevant:
 >>> Traceback (most recent call last):
  File "/usr/lib64/python2.4/lib-tk/Tkinter.py", line 1340, in __call__
    def __call__(self, *args):
KeyboardInterrupt

Thanks for sorting it out!

Wayne Boucher wrote:
> Hello,
>
> Problem (1) we cannot replicate but we're wondering whether there is an
> error message on your console when you do the graph (so it's possible for
> some reason it is bombing out just at the end of the plotting for some
> reason).
>
> Problem (2) is hopefully fixed.  (It seems that when some comment was
> being removed from the code accidentally a real line of code was removed
> at the same time.)
>
> Problem (3): I've added back in the old KD method which seems to be what
> should be used certainly in some cases.  (See next email for reminder of
> what this is about.)
>
> Wayne
>
> On Sun, 1 Jun 2008, Conny Johanssin wrote:
>
>   
>> I've been making some titrations lately and have run into some trouble
>> analysing the data.
>>
>> 1) When I make histograms of resonance1 vs shift dist The resonances are not
>> displayed on the x axis, but they are for other people in the lab. Still we
>> are all using the same installation of Analysis. See attachment for screenshot.
>>
>> 2) When I try to fit my titration to the saturation curve function in
>> analysis (the longest function, 2nd from bottom) and then press group peaks
>> I get a error (see screen dump). The annoying thing is that I got it to work
>> with another titration 2 weeks ago, but not this time. I've tried both
>> ligand ratio and ligand conc.
>>
>> 3) When I managed to fit the function 2 weeks ago I got a really nice
>> fitting curve and equation (with the variable values). Theoretically, I
>> should be able to derive the Kd from this function. It would be really nice
>> to be able to do that right away in Analysis rather than using some other
>> program. Anyhow, I don't recognize the equation and I find it strange that
>> it doesn't need the protein concentration, just the ligand. Do you have some
>> kind of reference on this equation where I can read about it, or where does
>> it come from? Do you know how I can get the Kd from the equation?
>>
>> Thanks
>> Conny
>>
>>     
>
>   


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