abrelax

a protocol that uses abinitio fragment assembly in centroid mode followed by full-atom relax

Structure annotation for rasrec and abrelax

For structure annotation, we have to run annotate_target and it shows us weak/strong of the structures. This tutorial explaints how to annotate structures calculated by abrelax or rasrec algorthm.

Calculations with Restraints

This tutorial explains how to add restraints from RDC and NOE data to your abrelax CS-Rosetta[1] or RASREC CS-Rosetta[2] calculation.

Standard CS-Rosetta

This tutorial shows how to run the standard CS-Rosetta protocol from Ref. [1] with the setup tools from the CS-Rosetta toolbox. This tutorial explains how to set up a basic calculation from backbone chemical shift data only.

Fragment Picking with Chemical Shift Data

1. Preparation of Input Files:

Flags (Abinitio)

An application that uses the abinitio protocol and is, for example, started in the directory rosetta_demos/abinitio/ would read-out the following flags:

CS-Rosetta

This chapter describes the basic CS-Rosetta protocol as described in Ref. [1]. In the literature variants of this protocol are often labeled CS-PCS-ROSETTA, CS-RDC-Rosetta, etc., which refers to combinations of the basic CS-Rosetta protocol with various types of experimental data[2][3].

Relax

Relax is the main protocol for simple all-atom refinement of structures in the ROSETTA force-field. Relax does not do extensive refinement and only searches the local conformational space around the starting structure.

Fragment Assembly (Abinitio)

Fragment Assembly describes the basic Rosetta protocol for de-novo structure prediction. Fragments provided via a

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