Member Site › Forums › Rosetta 3 › Rosetta 3 – General › NOE constraints with Rosetta 3.1
As far I know, the rosetta NMR protocols has been removed from the 3.x releases. But, were they replaced by anything similar ? Is there a way to use NOE constraints in Rosetta 3.1 ?
Thanks for your answers
There is some explicit NOE code in development but it hasn’t been released.
You can get the same effect via carefully chosen constraints using regular abrelax.
I’ve successfully made a Rosetta 3 constraint file from my NOE data, however is it possible to specify stereo-atoms ?
For example, I want to determine my constraint between one of the CD of the residue 1 and the HN of the residue 2 :
AtomPair #CD 1 H 2 BOUNDED 5.00 5.50 0.50
Would this be possible ?
This line of the restraint file is not taken into account, is there an equivalent ?