Structural Biology Software
The computer programs below are listed according to the articles in
which they appear. They are written in the Python programming language.
- Asbury, Quine, Achuthan, Hu, Chapman, Cross, and
"PIPATH: An Optimized Algorithm for Generating
alpha-Helical Structures from PISEMA Data", Journal of Magnetic
Resonance, vol. 183, pp. 87-95, 2006.
This is a software
package for generating initial atomic structures from a set of
dipolar coupling and chemical shift data from a uniformly
- Fabiola, Bertram, Korestelev, and Chapman
"An Improved Hydrogen Bond Potential: Impact on Medium Resolution
Protein Structures", Protein Science, vol. 11, pp. 1415-1423, 2002.
This software contains a hydrogen bond potential that can be used in
atomic refinement. It is a module for the XPLOR-NIH software package.
- Bertram, Asbury, Fabiola, Quine, Cross, and
"Atomic Refinement with Correlated Solid-State
NMR Restraints", Journal of Magnetic Resonance, vol. 163, pp. 300-309,
This software contains energy functions for solid state
NMR chemical shift and dipolar coupling data. It is a module for the
XPLOR-NIH software package.