Abstract
The structure and implementation of two computer programs are described. MOIL-view is a user friendly and flexible program for visualization of molecular structure and dynamics. STO is a program to compute most probable stochastic trajectories between fixed points. STO is useful to compute reaction paths in complex thermal systems.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
R. Elber, A. Roitberg, C. Simmerling, R. Goldstein, G. Verkhivker, and H. Li: ‘MOIL: A molecular dynamics program with emphasis on conformational searches and reaction path calculations in large biological molecules’, Proceedings of the NATO Workshop ‘Statistical Mechanics, Protein Structure and Protein-Substrate Interactions’ ,Corsica, June 1993, Plenum, New York.
F. C. Bernstein, T. F. Koetzle, G. J. B. Williams, E. F. Meyer, M. D. Brice, J. R. Rogers, O. Kennard, T. Shimanouchi, and M. Tasumi: J. Mol. Biol. 112, 535 (1977).
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan and M. Karplus: J. Comput. Chem. 4 ,187 (1983).
W. Kabsch: Acta. Cryst. A34, 827 (1978).
For a recent study (and a review) of calculations of reaction path in small (but flexible) Mol.ecules see: R. Czerminski and R. Elber: J. Chem. Phys. 92, 5580 (1990).
L. Onsager and S. Machlup: Phys. Rev. 91, 1505 (1953).
L. Onsager and S. Machlup: Phys. Rev. 91, 1512 (1953).
P. G. Wolynes: ‘Chemical Reaction Dynamics in Complex Molecular Systems’, in Complex Systems, SFI studies in the Sciences of Complexity ,D. Stein, Ed., Addison Wesley (1989).
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1995 Springer Science+Business Media Dordrecht
About this paper
Cite this paper
Simmerling, C., Elber, R., Zhang, J. (1995). MOIL-View — A Program for Visualization of Structure and Dynamics of Biomolecules and STO — A Program for Computing Stochastic Paths. In: Pullman, A., Jortner, J., Pullman, B. (eds) Modelling of Biomolecular Structures and Mechanisms. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 27. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0497-5_20
Download citation
DOI: https://doi.org/10.1007/978-94-011-0497-5_20
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-4222-2
Online ISBN: 978-94-011-0497-5
eBook Packages: Springer Book Archive