Member Site › Forums › Rosetta 3 › Rosetta 3 – Applications › How to add constrains to FlexPepDocking? › Reply To: How to add constrains to FlexPepDocking?
June 2, 2011 at 10:52 pm
#5700
Anonymous
You probably want to fix your SEP with respect to other atoms it is docked against, correct? If so, then the easy thing to do is generate pairwise distances between the SEP atom(s) of interest, and the atoms that those atoms contact. Then just make a list of AtomPair constraints as the documentation you’ve already read suggests.
If that’s not what you wanted to do, can you describe it more specifically?