sci-chemistry/ball Package Details

Rapid Software Prototyping can significantly reduce development times in the field of Computational Molecular Biology and Molecular Modeling. BALL (Biochemical Algorithms Library) is an application framework in C++ that has been specifically designed for this purpose. It provides an extensive set of data structures as well as classes for Molecular Mechanics, advanced solvation methods, comparison and analysis of protein structures, file import/export, and visualization . BALL has been carefully designed to be robust, easy to use, and open to extensions. Especially its extensibility which results from an object-oriented and generic programming approach distinguishes it from other software packages. BALL is well suited to serve as a public repository for reliable data structures and algorithms. Based on BALL we have developed a stand-alone tool for molecular visualization, BALLView . BALLView makes the broad functionality available through an integrated user-friendly GUI.

v1.5.0_pre20180419 :: 0 :: gentoo

Modified: Wednesday 13 February 21:49
License: LGPL-2 fftw? ( GPL-3 ) openbabel? ( GPL-3 )
Keywords: ~amd64 ~amd64-linux ~x86 ~x86-linux
USE flags: cuda doc fftw gui lpsolve mpi openbabel python svm test threads webengine

General

cuda: Missing description
doc: Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
fftw: Use FFTW library for computing Fourier transforms
gui: Missing description
lpsolve: Missing description
mpi: Add MPI (Message Passing Interface) layer to the apps that support it
openbabel: Missing description
python: Add optional support/bindings for the Python language
svm: Missing description
test: Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)
threads: Add threads support for various packages. Usually pthreads
webengine: Missing description

python_targets

python2_7: Build with Python 2.7

app-doc / doxygen : Documentation system for most programming languages

dev-cpp / eigen : C++ template library for linear algebra

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

dev-lang / python-exec : Python script wrapper

dev-libs / boost : Boost Libraries for C++

dev-python / sip : Python extension module generator for C and C++ libraries

dev-qt / linguist-tools : Tools for working with Qt translation data files

dev-qt / qtcore : Cross-platform application development framework

dev-qt / qtgui : The GUI module and platform plugins for the Qt5 framework

dev-qt / qtnetwork : Network abstraction library for the Qt5 framework

dev-qt / qtopengl : OpenGL support library for the Qt5 framework (deprecated)

dev-qt / qtprintsupport : Printing support library for the Qt5 framework

dev-qt / qttest : Unit testing library for the Qt5 framework

dev-qt / qtwebchannel : Qt5 module for integrating C++ and QML applications with HTML/JavaScript clients

dev-qt / qtwebengine : Library for rendering dynamic web content in Qt5 C++ and QML applications

dev-qt / qtwidgets : Set of components for creating classic desktop-style UIs for the Qt5 framework

dev-qt / qtxml : Implementation of SAX and DOM for the Qt5 framework

dev-util / cmake : Cross platform Make

dev-util / nvidia-cuda-toolkit : NVIDIA CUDA Toolkit (compiler and friends)

media-libs / glew : The OpenGL Extension Wrangler Library

sci-chemistry / openbabel : Interconverts file formats used in molecular modeling

sci-libs / fftw : Fast C library for the Discrete Fourier Transform

sci-libs / libsvm : Library for Support Vector Machines

sci-mathematics / lpsolve : Mixed Integer Linear Programming (MILP) solver

sys-devel / bison : A general-purpose (yacc-compatible) parser generator

sys-devel / make : Standard tool to compile source trees

virtual / mpi : Virtual for Message Passing Interface (MPI) v2.0 implementation

virtual / opengl : Virtual for OpenGL implementation

virtual / yacc : virtual for yacc (yet another compiler compiler)

x11-libs / libX11 : X.Org X11 library