Protocols for symmetric oligomers

This page lists several protocols designed for calculating NMR structures of symmetric oligomer structures, plus several supporting files. For details, see O'Donoghue et al. (1996). An explanation of the convention used for naming the protocols is given here.

X-PLOR file Description
MDSA-SO-WDMR-1.0 A conformational search protocol designed to begin with a well-defined monomer structure; from O'Donoghue et al. (1996).
MDSA-SO-WDMR-1.1 Later version of the above protocol; uses rigid body dynamics for the initial search; in some cases more efficient than 1.0.
MDSA-SO-WDO-1.0 Used to re-anneal symmetric oligomer structures produced by the above protocols.
GenerateDistanceSymmetryTbl Used to set up distance symmetry restraints in the above protocols; works for any oligomer up to a hexamer
BuildOligomer Used in the above protocols to construct the oligomer from monomer coordinates.
DefineEquivalentSubunits Used in the above protocols for the NCS restraint to define equivalent subunits.
rmsd Used in the above protocols to monitor the progress of the calculation.


Author: Sean I. O'Donoghue
Last modified: December 1996