i am new to pyrosetta and I am having some issues with making sure I am undocking properly.
I have a pdb file with a receptor with a receptor, 2 metal ions, a cofactor and then a substrate. It is arranged in a pdb file, with the receptor + metals beeing chain A, cofactor B, ligand X.
how do i unbind only the X chain properly? The tutorial is set up for a different problem, and i am struggling to valdidate the results. It also said that you could use
the InterfaceAnalyzerMover, however, without a concrete example i struggle translating that.