° | Analyze and merge an NMR ensemble |
This macro analyzes an NMR ensemble and merges the members into a single PDB file Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2022/10/17
° | Set default parameters for NMR structure determination |
This macro is included by others to set default parameters Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2022/09/20
° | Refine an NMR ensemble in explicit solvent |
This macro refines an NMR ensemble in explicit solvent (HOH or DMSO) to increase the accuracy Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2022/01/22
° | Solve an NMR structure with fixed quality |
This macro solves an NMR structure based on a protein sequence and a restraint file in XPLOR format. Contrary to the normal nmr_solve macro, it refines only those structures in water, that match a quality criterion, and performs an unlimited number of folding runs until the ensemble has the requested size Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2019/09/15
This macro solves an NMR structure based on a protein sequence and a restraint file in XPLOR format Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2019/09/15
° | Refine an NMR ensemble in vacuo |
This macro refines a roughly folded structure in vacuo to create a realistic fold Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2018/02/05
° | Fold an ensemble of NMR structures |
This macro folds a structure from the stretched-out conformation using NMR restraints Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2018/02/05
This macro refines a single structure or structure ensemble (provided in PDB format) in vacuo & explicit solvent and finally analyzes the result Written by: Elmar Krieger, Sander Nabuurs, Chris Spronk License: GNU GPL Last modified: 2016/02/27
|