Unsolved

Hello,

I want to dock two proteins. I have some constraints between residues of different chain (here chain A and B).

For eaxmple:

For residues number 15 of chain A, and residue number 271 of chain B, I have the following information:

The minimum distance between residues is 0, and the maximum distance is 6.

How can I add constrain for something like this case (I mean when residues are in different chain)? How can I specify that residues are in diffrent chain?

Hello,

I followed pyrosetta tutorials for docking.  I did something like the following:

scorefxn_low = create_score_function("interchain_cen")

jd = PyJobDistributor("output", 100, scorefxn_low)
while not jd.job_complete:
    cen_pose.assign(starting_cen_pose)
    dock_lowres.apply(cen_pose)
    jd.output_decoy(cen_pose)

 Then, I selected the candiddate with lowest score.

Hello guys,

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 

Hi,

I am trying to build rosetta 3.12 on macOS Big Sur but I receive the following error:

-----------------------------------------------------------------------------------------------------------------------

In file included from src/apps/public/AbinitioRelax.cc:20:

In file included from src/basic/options/option.hh:17:

In file included from src/utility/options/OptionCollection.hh:21: