<?xml version="1.0" encoding="UTF-8"?> <!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> <pkgmetadata> <maintainer type="project"> <email>sci-chemistry@gentoo.org</email> <name>Gentoo Chemistry Project</name> </maintainer> <use> <flag name="fetk">Include support for FeTK</flag> <flag name="fast">APBS fast mode (experimental)</flag> <flag name="iapbs">C/C++/Fortran interface</flag> <flag name="tools">Install optional tools</flag> </use> <longdescription> APBS is a software package for modeling biomolecular solvation through solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation </longdescription> <upstream> <remote-id type="github">Electrostatics/apbs-pdb2pqr</remote-id> <remote-id type="sourceforge">apbs</remote-id> </upstream> </pkgmetadata>