sci-chemistry / pdb2pqr

Automated pipeline for performing Poisson-Boltzmann electrostatics calculations

Official package sites : http://www.poissonboltzmann.org/ ·

v1.9.0-r1 :: 0 :: gentoo

Modified
License
BSD
Keywords
amd64 x86 ~amd64-linux ~x86-linux
USE flags
doc examples opal pdb2pka

General

doc
Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
examples
Install examples, usually source code
opal
Add web interface via opal
pdb2pka
Install experimental pdb2pka interface

python_targets

python2_7
Build with Python 2.7

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-lang / swig : Simplified Wrapper and Interface Generator

dev-python / numpy : Fast array and numerical python library

dev-python / zsi : Web Services for Python

dev-util / scons : Extensible Python-based build utility

sci-chemistry / apbs : Evaluation of electrostatic properties of nanoscale biomolecular systems

sci-chemistry / openbabel-python : Python bindings for OpenBabel (including Pybel)

virtual / fortran : Virtual for Fortran Compiler

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-python / numpy : Fast array and numerical python library

dev-python / zsi : Web Services for Python

sci-chemistry / apbs : Evaluation of electrostatic properties of nanoscale biomolecular systems

sci-chemistry / openbabel-python : Python bindings for OpenBabel (including Pybel)

virtual / fortran : Virtual for Fortran Compiler

David Seifert · gentoo
sci-chemistry/pdb2pqr: [QA] Fix DESCRIPTION.toolong
Matt Turner · gentoo
sci-chemistry/pdb2pqr: dropped ppc keywords
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
T. Malfatti · gentoo
media-libs/portaudio: Version bump
Mike Frysinger · gentoo
fix quoting to a lot of patch calls
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed