#21507: pdb2pqr-1.4.0-1 --------------------------------------+------------------------------------- Reporter: howarth@… | Owner: macports-tickets@… Type: submission | Status: new Priority: Normal | Milestone: Component: ports | Version: 1.8.0 Keywords: science | Port: pdb2pqr --------------------------------------+------------------------------------- PDB2PQR is a Python software package that automates many of the [[BR]] common tasks of preparing structures for continuum electrostatics [[BR]] calculations, providing a platform-independent utility for converting [[BR]] protein files in PDB format to PQR format. This package is used to prepare [[BR]] pqr files from pdb files for generating electrostatic surfaces with APBS from [[BR]] within pymol's APBS Tools plugin.[[BR]] -- Ticket URL: <http://trac.macports.org/ticket/21507> MacPorts <http://www.macports.org/> Ports system for Mac OS