From: Patel, Pryank <[log in to unmask]>
Subject: Re: ipap_ass.py macro
To: [log in to unmask]
Date: Thursday, March 15, 2012, 9:00 PM

Hi all,
Apologies for the confusion I may have caused, partly due to my own mixup between the ipap_ass and RDCCalculatior macros! With the ipap_ass macro, after I sent the original email in 2009, I took Graeme Ball's original macro and modified it to work for v2 Analysis. I also added some extra code which printed out the dipolar coupling in the shell. This was because I had a couple of issues with the RDCCalculator macro at the time. I should have posted the modifications at the time - I apologise for not doing so.

I've attached the modifications to the original ipap_ass macro that Rasmus said had to be made in the attached file called ipap_ass2.py. The modification only has to be made in 3 lines, as far as I can see. I could send the other macro I made, which prints the RDC value in the shell, but I also think the RDCCalculator macro should suffice (if anyone wants the other macro, please email me).

Best wishes,
Pryank

On 15 Mar 2012, at 19:09, Wayne Boucher wrote:

> Whoops, but I see that Pryank asked about the ipap_ass macro in July 2009 but nobody responded so I guess it was not updated, which is a bummer.
>
> Wayne
>
> On Thu, 15 Mar 2012, Rasmus Fogh wrote:
>
>> Dear All,
>>
>> Different macro - this is RDCcalculator, not ipap_ass. But if somebody fixes the ipap_ass macro I will fix the download.
>>
>> Rasmus
>>
>> ---------------------------------------------------------------------------
>> Dr. Rasmus H. Fogh                  Email: [log in to unmask]
>> Dept. of Biochemistry, University of Cambridge,
>> 80 Tennis Court Road, Cambridge CB2 1GA, UK.     FAX (01223)766002
>>
>> On Thu, 15 Mar 2012, Wayne Boucher wrote:
>>
>>> Hello,
>>> Ben Goult modified it to be v2 compliant, see here:
>>> https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ind0909&L=ccpnmr&P=R10212&1=ccpnmr&9=A&J=on&d=No+Match%3BMatch%3BMatches&z=4
>>> (or equivalently http://tinyurl.com/7wfa8es).
>>> Wayne
>>> On Thu, 15 Mar 2012, Rasmus Fogh wrote:
>>>> Dear Krisztina,
>>>> Yes, it has to do with changes in the data model. This macro is old.
>>>> The problem is that the data model used to return lists in many places where it now returns (frozen) sets.
>>>> The solution, in this case, is to to change line 31 from
>>>>   srcPeakDims = source.peakDims
>>>> to
>>>>   srcPeakDims = source.sortedPeakDims()
>>>> You need to make a similar change in line 33, and quite possibly in other places as well.
>>>> Unfortunately we do not have time to go though contributed software and make fixes. If you should decide to upgrade these macros so they work, and if you then send them to us, we shall put the new versions in place and credit you with the upgrade.
>>>> Best I can do, I am afraid,
>>>> Rasmus
>>>>
>>>> ---------------------------------------------------------------------------
>>>> Dr. Rasmus H. Fogh                  Email: [log in to unmask]
>>>> Dept. of Biochemistry, University of Cambridge,
>>>> 80 Tennis Court Road, Cambridge CB2 1GA, UK.     FAX (01223)766002
>>>> On Thu, 15 Mar 2012, Krisztina Feher wrote:
>>>>> Dear All,
>>>>> I am trying to get to work Graeme Ball's macro for RDC peak assignment transfer, ipap_ass.py. I selected one HSQC peak in the assigned spectrum and 2 peaks in the destination spectrum. I got the following traceback:
>>>>>>>> Exception in Tkinter callback
>>>>> Traceback (most recent call last):
>>>>> File "/home/kriszti/bin/ccpnmr/python2.6/lib/python2.6/lib-tk/Tkinter.py", line 1410, in __call__
>>>>>   return self.func(*args)
>>>>> File "/home/kriszti/bin/ccpnmr/ccpnmr2.1/python/ccpnmr/analysis/popups/EditProfiles.py", line 983, in runSelectedMacro
>>>>>   runMacro(self.macro,self.parent.argumentServer)
>>>>> File "/home/kriszti/bin/ccpnmr/ccpnmr2.1/python/ccpnmr/analysis/core/Util.py", line 1471, in runMacro
>>>>>   command.run()
>>>>> File "/home/kriszti/bin/ccpnmr/ccpnmr2.1/python/ccp/general/Command.py", line 83, in run
>>>>>   self.func(argServer=self.argumentServer)
>>>>> File "/home/kriszti/Desktop/gball-mar06-rdc-macros/ipap_ass2.py", line 35, in ipap_ass
>>>>>   for contrib in srcPeakDims[i].peakDimContribs:
>>>>> TypeError: 'frozenset' object does not support indexing
>>>>> Any ideas? Does it has to do with some changes in Analysis in the mean time?
>>>>> Thanks,
>>>>> Krisztina
>>