[Apbs-announce] ANN: APBS/Amber interface released
Biomolecular electrostatics software
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From: Robert K. <ro...@uc...> - 2006-06-23 06:24:22
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Hi everybody, We are pleased to announce the availability of APBS/Amber module, implemented via iAPBS interface version 0.2.0. APBS (http://apbs.sourceforge.net) is a scalable, state of the art Poisson-Boltzmann solver for continuum electrostatics with many features. The APBS/Amber module allows access to most of the APBS functionality from within sander. Among currently implemented features are: implicit solvent minimization, dynamics, single step calculation of solvation energies and writing out calculated electrostatic properties for visualization using third party applications (VMD, Pymol, PMV, OpenDX, etc.). The current iAPBS code and documentation which includes detailed installation instructions and examples are available at http://mccammon.ucsd.edu/iapbs. This effort is sponsored by the National Biomedical Computation Resource at University of California, San Diego (http://www.nbcr/net). Questions or comments may be directed to Robert Konecny <ro...@uc...>. Thank you. Robert |