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windows default iconAPBS for Windows Publisher's description

APBS is a software package for the numerical solution of the Poisson-Boltzmann equation

APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales.

What's New in This Release:

New features:
В· Added in new read and write binary (gz) commands. Can read gzipped DX files directly.
В· Added new write format to output the atomic potentials to a flat file (see atompot)
В· Added new functionality for using a previously calculated potential map for a new calculation.
В· Added a new program for converting delphi potential maps to OpenDX format. tools/mesh/del2dx
В· Updated Doxygen manual with call/caller graphs. Replaced HTML with PDF.
В· Added tools/matlab/solver with simple Matlab LPBE solver for prototyping, teaching, etc.
В· Deprecated APBS XML output format.
В· Deprecated nlev keyword.
В· Added etol keyword, which allows user-defined error tolerance in LPBE and NPBE calculations (default errtol value is 1.0e-6).
В· Added more explanatory error messages for the case in which parm keyword is missing from APBS input file for apolar calculations.
В· Added a polar and apolor forces calculation example to examples/born/ .
В· Added warning messages for users who try to compile APBS with --enable-tinker...

System Requirements:

No special requirements.
Program Release Status: New Release
Program Install Support: Install and Uninstall

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