I have a protein complex that's represented in terms of the sequence, the pairwise distances between the CA atoms, and the phi and psi dihedral angles. These distances and dihedral angles should be reasonably correct. I do not have access to the coordinates (N,CA,C,O, etc.) of this protein complex.
I would like to use an energy function where I can differentiate the energy with respect to the dihedral angles and distances to get a gradient. From perusing this forum, it seems like I should use "score4_smooth"?However, it seems like I would have to reimplement this to take in distances/angles as input instead of coordinates. I can't find where this is implemented, so I'm not sure how to begin this.
Any advice would be appreciated!