I'm trying to seperate a protein-protein complex, apply residue labels based on core/surface/boundary layer definitions, and then reset the protein-protein complex for design. My first thought was to use the RigidBodyTransMover, however, I cannot perform the reverse rigid body translation to recombine the protein-protein complex; the ouput file has the proteins out of contact. I'm unfamiliar with the coordinates, but am noticing that the end coordinate differs after back transformation:
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER RigidBodyTransMover - seperate_complex=======================
protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.537999 0.619378 0.571777 0.708798 0.699537 -0.090849 -0.456249 0.356397 -0.815364 18.8791 -43.421 0.452815
protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.537999 0.619378 0.571777 0.708798 0.699537 -0.090849 -0.456249 0.356397 -0.815364 -479.608 -81.0628 -0.93273
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER RigidBodyTransMover - reset_complex=======================
protocols.moves.RigidBodyMover: Translate: Jump (before): RT -0.537999 0.619378 0.571777 0.708798 0.699537 -0.090849 -0.456249 0.356397 -0.815364 -479.608 -81.0628 -0.93273
protocols.moves.RigidBodyMover: Translate: Jump (after): RT -0.537999 0.619378 0.571777 0.708798 0.699537 -0.090849 -0.456249 0.356397 -0.815364 18.8791 -43.421 167.105
Is this typical for the attached RosettaScripts? Is there something I am missing or is it not possible to transform back to the original pose coordinates?
| Attachment | Size |
|---|---|
 The XML | 594 bytes |
 The input PDB | 124.28 KB |
| The command line for execution | 340 bytes |
The problem was a compiler issue on my end. Using the XML in the original post should result in a reset of the pose coordinates.