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DelPhi is a program which uses finite difference method to solve the Poisson-Boltzmann equation for molecules of arbitrary shape and charge distribution.
New features include different dielectric constants, multi-valent salts, geometric objects and charge distributions, and a non-linear Poisson-Boltzmansolver. A new partitioning of the energy helps to eliminate grid effects.
DelPhi currently runs on IRIX and Linux machines in the core.Instructions for delphi can be found at the delphi home page.
An on-line user manual is available.
To run delphi in the core type:
>setup delphi
>delphi
The best way to get started is to run some examples from /srv/local/delphi_v4/examples/ with the help of the manual.Rocchia, W., Sridharan, S., Nicholls, A., Alexov, E., Chiabrera, A and Honig, B. (2002) Rapid Grid-Based Construction of the Molecular Surface and the Use of Induced Surface Charge to Calculate Reaction Field Energies: Applications to the Molecular Systems and Geometric Objects. J. Comp. Chem. 23:128-137. .
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Contact: webadmin(at)mail^csb^yale^edu Last Modified: Friday, 06-Jun-2003 10:43:58 EDT by Shanti Kunchaparty |