1. Natural Sciences

1.1. Chemistry

1.1.1. General

ASAD - a package for integrating chemical schemes in atmospheric models

BKChem - Chemical drawing program

Bioclipse - Bioclipse is a rich-client platform chemistry and biology workbench. It provides access to many open source bioinformatics and chemoinformatics toolkits and has plugins for the Chemistry Development Kit, JChemPaint, Jmol, and BioJava

CHEMCALC - a calculator that is more oriented towards chemistry

Chemtool - chemical structure editor

CDA - analyze chemical systems which can be described as donor-acceptor complexes

CHEMEQ - translate chemical equations to LaTeX code

CHEMSUITE - molecular 2/3D drawing and chemical reaction simulation software

CHIMP - a generic tool for the modeling of chemical phenomena

CACTVS Tools - a visualization package for chemist

E-CELL Simulation Environment - Software for cellular and biochemical modeling and simulation

EMAN - 3D particle reconstruction package

Easychem - Draw high-quality molecules and 2D chemical formulas

Fityk - Non-linear curve fitting and data analysis

GAMGI - A program to build, view, and analyse atomic structures

Gabedit - is a graphical user interface (GUI) to computational chemistry packages

Gchempaint - 2D chemical structures editor for the GNOME2 desktop

GDC - A utility to calculate compressible flow (Gas Dynamics Calculator)

GDIS - Software to display and manipulate isolated molecules and periodic systems

GenChemLab - Simulates general chemistry laboratory exercises

gElemental - A periodic table viewer

genoAMOVA - is a small program that does the one level Analysis of MOlecular VAriance calculations

Ghemical - Molecular modelling application

GPeriodic - Periodic table application

GROMACS - Simulates molecular dynamics

Gnome Chemistry Utils - The Gnome Chemistry Utils include three utilities: a chemical calculator (computes raw formule, molar weight, mass composition and isotopic pattern), a molecule 3d viewer using OpenGL to display molecular models, a crystal structues viewer and editor and a periodic table of the elements

gdpc - Visualizes molecular simulation

Jmol - Chemical structure editor

Kalzium - chemistry teaching tool for KDE. (KDE stands for K Desktop Environment - which is a powerful Open Source graphical desktop environment for Unix workstations)

Kci - Simulates chemical reactions

Lamprop - Calculates properties of fiber-reinforced composite laminates

MayaChemTools - is a growing collection of Perl scripts to support day-to-day computational discovery needs

Melting - Nearest-neighbor compilation of nucleic acid hybridation

OpenBabel - Translates chemical file formats and data

polyxmass - Mass spectrometric framework for simulation and analysis of mass spectrometric data of (bio-)polymers

PyMOL - An OpenGL Molecular Graphics System written in Python

RasMol - Visualize biological macromolecules

VESTA - is a 3D visualization program for structural models and volumetric data such as electron/nuclear densities

Viewmol - A graphical front end for computational chemistry programs

XDrawChem - Program to draw chemical structures

Xem - Program to calculate Ph balance

Xmakemol - Program for visualizing atomic and molecular systems

1.1.2. Organic Chemistry

Bist - Bist (Bidimensional Structures) is a chemical drawing program focussed on organic chemistry

OSET - OSET (Organic Synthesis Exploration Tool) is a computer-assisted organic synthesis (CAOS) program for the retrosynthetic analysis of target molecules. Intended for educational use, as a tool for learning chemical synthetic design at undergraduate organic chemistry courses

BOSS - biochemical and organic simulation system

1.1.3. Environmental Chemistry

ALOGPS - provides prediction of logP and aqueous solubility of compounds to be used in drug design (ADMET and HTS) and environmental chemistry studies. The ALOGPS program can be also used to predict logD values

1.2. Earth Sciences

1.2.1. Meteorology

Geo::Weather - Retrieves weather.com information

PHP Weather - Shows current weather on a Web page

phpWX - Displays current weather conditions

Snow Path Formation Simulator - Graphically displays the formation of paths in the snow formed by people

StormSiren - Severe weather monitoring tool

WeatherGraph - Generates graphs of weather conditions

WeatherPlotter - Gathers, tracks, and analyzes historical weather data

WeatherSpect - Simulates the current weather in ASCII art

Wmweather+ - Weather application for windowmaker

wxweather - Reference implementation of the Open Weather Project system

1.2.2. Geology

GeoTIFF Viewer - A viewer for GeoTIFF files

iGMT - Visual tool for GMT script mapping

mezoGIS - is a GIS application, a graphical interface to query and analyse spatial data

PrimaGIS - A collaborative Web mapping application for Zope and Plone

Seismic Toolkit - is a tool for processing and displaying seismic signal data in a graphical interface

UDIG - UDIG stands for (User-friendly Desktop Internet GIS) is a spatial data viewer and editor with emphasis on the OpenGIS standards for Internet GIS, the Web Map Server and Web Feature Server standards

wxweather - wxweather' is a reference implementation of the Open Weather System, an open weather monitoring and prediction network

1.2.3. Geography

Appomattox - Create maps and analyze spatial data

DGPS - Lets you get GPS corrections over IP

Earth3D - Visualizes the earth in realtime in a 3D view

GDAL - API for accessing raster geospatial data

GEOS - C++ implementation of the OpenGIS "Simple Features for SQL" specification

Geocanvas - A developer API library to assist in creating geographically referenced canvas applications

GeoRecorder - Record audio files and add geo-tag them automatically

GeoToad - Speeds up choosing a cache and collecting data

gama - Geodetic network adjustment program

GMAP - Gnome Map Application Program, a Gtk# / mono program that lets you view maps without the internet

GMT - Geographic mapping tools that produce EPS illustrations

GPS applet - displays latitude and longitude on panel. Supports NMEA serial GPS receivers

GPSBabel - Converts waypoint data between various formats

Gpsdrive - Map-based navigation system

GPSMan - Graphical manager for GPS data

GPStk - Set of GPS processing algorithms

GRASS - Geographic information system. GRASS stands for Geographic Resources Analysis Support System

Harmonics - Harmonics files for Xtide

Height Map Generator - Terrain map generator

MapServer - Web-enabled mapping application development tool

PostGIS - Adds support for geographic objects to PostgreSQL

Pytrainer - is a tool to log all your sport excursion (e.g journey, ride). It is originally programmer for cyclist geeks :D, but it can be used by another type of sport people.. like runner, swimers, mountain bikers, etc.

QGIS - Geographic Information System

RoadMap - GIS program that displays street maps / A Car Navigation System for Linux and UNIX

Thuban - Interactive GIS viewer

tkgeomap - Tcl/tk commands for manipulating geographic data

Viking - A GPS data viewer/editor and map viewer

XTide - Tide clock and tide predictor

Xrmap - Displays portions of the earth

XYZ2LLA - is a little C program to convert earth-centred earth-fixed (ECEF) cartesien coordinates to latitude, longitude and altitude (LLA in degree)

WW2D - allows you to explore Earth using satellite imagery, topographic maps and image from other data sources

1.2.4. Geostatistics

gstat - Geostatistical modelling, simulation, and prediction

1.3. BioScience / Life Sciences

1.3.1. Biology

Bioinformatics Template Library - Library for life sciences programming

Blossoc - A block-association mapping tool

CTSim - Computed tomography simulator

CoaSim - Coalescence process simulator

CoaSim-gui - GUI for the CoaSim coalescence process simulator

cvEyeTracker - Tools for eye tracking

E-CELL Simulation Environment - Software for cellular and biochemical modelling and simulation

E-Cell System 3 - E-Cell System is an object-oriented software suite for modelling, simulation, and analysis of large scale complex systems such as biological cells

fastDNAml - Phylogenetic analysis software

Folding@Gnome - The Folding@Gnome applet is a GUI that keeps track of the background protein folding progress done by Folding@Home

GENtle - Bioinformatics software for everyday molecular biology tasks

HASAS - Hydro-Acoustic Signal Analysis System

PerlPrimer - Designs primers for standard, bisulphite, and real-time PCR, and sequencing

Phylographer - Visualizes evolutionary relationships

QDist - Computes the quartet distance between unrooted evolutionary trees

RIGEL - Representation-Independant Genetic Engine Library

SigmaPi Neurosimulator - A simulator for recurrent neural networks

Split-Dist - Calculates the number of splits (edges) that differs for two trees

Xmedcon - Medical image conversion utility and library

1.3.2. Biology Genetics

E-CELL Simulation Environment - Software for cellular and biochemical modelling and simulation

GAUL - Library for programming applications using genetic algorithms

GENtle - Bioinformatics software for everyday molecular biology tasks

OpenBeagle - Evolutionary computation framework

1.4. Physics

Atlc - Package for designing and analyzing electrical transmission lines and directional couplers

aITALC - Performs automated perturbative loop calculations of cross sections in high energy physics

Cernlib - A suite of data analysis tools and libraries created for use in physics experiments, but also with applications to other fields such as the chemical and biological sciences

CLHelp - HEP-specific foundation and utility classes

Dimnum - C++ library for storage and conversion of dimensionful values

EPICS - Distributed Process Control Tool Kit Components

Elmer - Elmer is a computational tool for multi-physics problems

Geant321 - A toolkit for the simulation of the passage of particles through matter

libgpiv - Library for Particle Image Velocimetry (PIV)

libquantum - Simulation of a quantum computer

nMod nBody Modelling Toolkit - Particle-particle nbody model

GAMGI - A program to build, view, and analyze atomic structures

GDIS - Software to display and manipulate isolated molecules and periodic systems

GPSimulator (GPS) - Simulates particle behavior

gpiv - GUI for analyzing images obtained by the Particle Image Velocimetry technique (PIV)

gpivtools - Set of tools for the Particle Image Velocimetry technique

Gnome Flow - Calculates and visualizes steady-state fluid flows

Light Speed - Simulates a geometric lattice

MIT Photonic Bands - Computes photonic band structures

McStas - Neutron ray-trace simulation application

Meep - finite-difference time-domain (FDTD) electromagnetic simulations

octopus - Electronic structure based on time-dependent density functional theory

OOF - Calculate macroscopic properties from images of microstructures

OOFEM - Object oriented finite element code

OpenLB - A library for lattice Boltzmann numerics

SpecTcl - Helps analyze nuclear physics event data

SALOME - is a free software that provides a generic platform for Pre and Post-Processing for numerical simulation

Vp7wkp - Simulates radioactive decay

1.4.1. Biophysics

Coot - Superb tool for crystallographers

Pymol - An open source visualization program. Reads many formats, including crystallographic map files

VMD - Another visualization program, this one better suited for reading trajectories from simulations, or generating custom graphics

1.5. Space Sciences

1.5.1. Astronomy

Astro::Catalog - Object-oriented astronomical catalogue

Astroconst - Makes header files that define astrophysical constants

avsomat - Autoschedules and manages astronomical observation data

Celestia - Visual simulation of space

cora - Line fitting tool designed for emission line spectra with low count numbers

EPICS - Distributed Process Control Tool Kit Components

Ephemeris - Reads, writes and interpolates planetary positions using JPL's ephemeris files

EXTREMA - is an interactive program with publication quality graphics and mathematical analysis capabilities

Einstein@GNOME - A GNOME panel applet for the Einstein@Home neutron star search

gcx - Complete set of data-reduction functions for CCD photometry

GNOME Lunar Clock Applet - GNOME Lunar Clock displays the current phase of the Moon as an applet for the gnome panel

gnuskies - Project to create a free version of the xephem program

Gpredict - is a real-time satellite tracking and orbit prediction program

HASAS - HASAS (Hydro-Acoustic Signal Analysis System) is a modular system for passive sonar signal analysis

Hitchhiker 2000 - Astronomy simulation program

Kstars - Desktop planetarium for KDE

LibRadtran - Calculates solar and thermal radiation

libnova - Celestial mechanics and astronomical calculation library

Msetimon - Multi-SETI@home Monitor

nMod nBody Modelling Toolkit - Particle-particle nbody model

Nightfall - Simulate eclipsing binary stars

Planet Finder - Shows the location of planetary bodies

Qastrocam - Video capture program

SImg - Astronomical image processing software

SkyNET - is a mono program which draws a skychart

StarPlot - is a 3-dimensional perspective star map viewer

Stellarium - Renders realistic skies in real time with openGL

Sunclock - Clock for the X Window System

Sunwait - Calculates sunrise, sunset, and civil, nautical, twilight, astronomical twilight

Spacechart - Displays the stars in space in 3D

Xplanet - Draws the earth or other planets

XYZ2LLA - is a little C program to convert earth-centred earth-fixed (ECEF) cartesien coordinates to latitude, longitude and altitude (LLA in degree)

scubuntuWiki: Scientific_Software/NaturalSciences (last edited 2008-11-21 12:42:25 by ThomasFogwill)