[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[IMP-users] add_partial_profiles


I am having a bit of a tough time with writing a script and wondered if someone could help.

I have installed the latest nightly builds and am trying to write the following:

I wish to loop over n structures, calculate the summed partial saxs profile. I hope to achieve this using the attached code and example structures.

I think that I should use the add_partial_profiles function, however I can not get it to work the way that I would like. Is there a way to access the values in the predicted saxs profiles using the python interface? 

Here is my current code, but it does not work as I would expect.


Attachment: test.tgz
Description: Binary data

R. Bryn Fenwick
Post-doctoral fellow
Chemistry and Molecular Pharmacology Programme 
Institute for Research in Biomedicine (IRB Barcelona)
Parc Científic de Barcelona 
Baldiri Reixac 10, 08028 Barcelona, SPAIN
Tel. (+34) 9340 20460