nmr structure generation with torsion angle dynamics
Dr. John Badger
jb at MSI.COM
Mon Oct 12 11:25:39 EST 1998
We redeveloped these at MSI - one script which duplicates the
protocol in the original Stein et al paper, and one script which
avoids any use of conventional dynamics.
The success rate for protein structure determination is
extremely high and, provided the initial high constant
temperature TAD stage is sufficiently long, the method works
on very large structures.
The scripts are part of X-PLOR 98.0, which we released
a few months back (versions for SGI, multiprocessor SGI, IBM
and Compaq Alpha).
You need to contact MSI to get this version of X-PLOR.
Product Development Manager, Macromolecular Crystallography
Molecular Simulations Inc
More information about the X-plor