Re: model free analysis without structure

2014-02-03 Thread Edward d'Auvergne
Hi Ji Hun, Welcome to the relax mailing lists! For your question, relax does support the model-free analysis of a protein without a 3D structure. You will however not be able to optimise the spheroidal or ellipsoidal diffusion tensors. Therefore you have to be careful about fake internal

Re: model free analysis without structure

2014-02-03 Thread Edward d'Auvergne
Hi Ji Hun, Looking back over your script, I can see that you call the user function: interatom.unit_vectors() This is actually where your problem arises. See the documentation at http://www.nmr-relax.com/manual/interatom_unit_vectors.html (which I have updated at

Re: NOE analysis issue

2014-02-03 Thread Muthu, Dhanasekaran - (dhanas)
Hi Edward, That is awesome! I will try and let you know if I find any problem. Thanks so much for taking care of this! Dhanas On Feb 3, 2014, at 2:18 AM, Edward d'Auvergne edw...@nmr-relax.com wrote: Hi Dhanas, If you have not already seen, I have released relax 3.1.4 which contains the