You are here

Sample dihedral database

3 posts / 0 new
Last post
Sample dihedral database

Good morning,


I have a database of dihedral angles in this order: residue psi psi. Is is possible to use pyrosetta to sample randomly throuh this database,

applying random psi and psi angles to a pdb pose, using a movemap? Imagine that my sequence is AQAAVFGT; so the script would retrieve randomly from the database the dihedrals corresponding to residues in the sequence and output a pose.

is this possible? Maybe with a loop with the SetTorsion mover?

Thank you,


Post Situation: 
Mon, 2018-03-12 04:28

If I understand correctly, you want to directly choose the torsion values to be set, through some database you've already built - clearly the code to interpret that database is something you'll have to write.  Given that you know a psi or phi you want, Pose offers set_psi, set_phi, and set_omega directly.  No real need for a Mover here.

Mon, 2018-03-12 09:53

Ok, started to do it already. I´ll update it here if it is of any use to anyone.

Thank you for the reply

Mon, 2018-03-12 10:01