Einfache Projektliste Software-Karte

146 Projekte im Ergebnis
Letztes Update: 2014-04-28 00:14

Fityk

Fityk is nonlinear curve-fitting and data analysis software. It allows data visualization, separation of overlapping peaks, and least squares fitting using standard Levenberg-Marquardt algorithm, a genetic algorithm, or Nelder-Mead simplex method. It knows about many functions (mostly bell-shaped, like Gaussian, Loretzian, Pearson 7, Voigt, Pseudo-Voigt, and Doniach-Sunjic) and user-defined functions can be easily added. It also enables background subtracting, data calibration, and task automation with a simple script language. It is mainly used to analyze powder diffraction patterns, chromatography, photoluminescence, infrared, and Raman spectroscopy, but it can be used to fit analytical functions to any kind of data.

(Machine Translation)
Letztes Update: 2004-12-10 18:38

wxEWA for spectrum evaluation

複数のプロシージャ マルチ プラットフォーム電子スペクトル評価プログラム、原子物理学と XPS/UPS 分光のための特別なオプションを持つ。

(Machine Translation)
Letztes Update: 2010-12-07 21:51

BALL

The Biochemical ALgorithms Library (BALL) is a
framework for rapid application development in
molecular modeling and structural bioinformatics.
BALL 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, NMR shift prediction, and
visualization. Its extensibility results from an
object-oriented and generic programming approach.

(Machine Translation)
Letztes Update: 2011-12-24 16:53

Chemtool

Chemtool is a GTK+-based 2D chemical structure editor for X11. Drawings can be exported in XFig format for further annotation, or as Postscript files (using xfig's companion program transfig). A set of sample molecular structure drawings is included in the archive.

(Machine Translation)
Letztes Update: 2003-06-21 12:20

CyberBrau

Cyberbrau is a Web-based program to help the
homebrewer. It allows for very simple and
intuitive beer, cider, and mead recipe creation,
and it automatically calculates all the pertinent
information based on the selected ingredients and
schedule. In addition to the recipes, it allows
multiple brewers to privately track their own
batches, emailing them on racking, bottling, and
lagering dates. Finally, it has a 'taster's
review' section which allows those who try your
brew to rate and comment on the batch. This
information goes into the overall recipe ranking.

(Machine Translation)
Letztes Update: 2005-11-30 14:34

XDrawChem

XDrawChem is a program for drawing chemical
structures. Features include fixed length and
fixed angle drawing, a ring tool to automatically
draw rings, automatic alignment of structures in
reactions, 2D structure diagram generation, and 3D
structure conversion. It can access structures in
the PubChem compound database by name, CAS number,
or formula. It can output InChI for structures and
search the database by structure. It can predict
1H NMR, 13C NMR, simple IR spectra, and estimated
pKa. XDrawChem can work with its native file
format, ChemDraw files, and any format supported
by OpenBabel (MDL Molfile, CML, etc.).

(Machine Translation)
Letztes Update: 2007-09-24 07:46

Ghemical

Ghemical is a molecular modelling software package with some nice 3D visualization tools. It supports methods based on both molecular mechanics and quantum mechanics (using MOPAC7, and MPQC for QM). The geometry optimization (for MM and QM) and molecular dynamics (for MM) algorithms are included. Ghemical is written in C++, and hopefully offers a good framework for a generic freeware molecular modelling tool.

Letztes Update: 2016-08-08 13:36

Powder auto-indexing software Conograph

Conograph GUI (Windows/Mac) is distributed at (4/30/2013--):

https://z-code.kek.jp/zrg/ (webpage of KEK)

http://conograph.osdn.jp/ConographGUI/web_page_JP.html (webpage of the author)

Conograph core program (src only), BLDConograph (a standalone program for error-stable Bravais lattice determination, src/exe) and Peak search program (src/exe) are uploaded here. Conograph is based on the method introduced in Acta Cryst., A69, 603--610 (2013). The algorithm and results of Conograph are introduced in Acta Cryst., A69, 603--610 (2013) and J. Appl. Cryst. 47, 593--598 (2014). The algorithm of BLDConograph which is also used in Conograph is based on the method in Acta Cryst. A68, 525--535 (2012).

Entwicklungsstatus: 4 - Beta
Zielbenutzer: Science/Research
Natürliche Sprache: English, Japanese
Betriebssystem: OS Unabhängig
Programmiersprache: C++
Benutzerschnittstelle: Command-line
Register Date: 2012-08-05 15:29
Letztes Update: 2007-07-11 12:38

gperiodic

gperiodic is a program for browsing the periodic
table and looking up data for different elements.
It also features a non-graphical interface.

(Machine Translation)
Letztes Update: 2013-10-17 21:42

uLan Driver

uLan Driver provides 9-bit character message- oriented communication protocol that is transferred over an RS-485 link. The physical layer consists of one twisted pair of leads, and RS-485 transceivers. Supported hardware includes OX16C954 PCI based add-on cards, USB-to-uLan converters, the i82510 RS-485 card, or simple active converter dongle for standard PC RS-232 ports. The whole set of libraries and support tools is available for building embedded devices. They range from low level firmware boot-loaders and debugging tools up to object oriented properties browsing and manipulation and process data communication channels mapping.

Letztes Update: 2022-11-16 00:00

Molby - A Molecular Modeling Software

Molby is a software for building molecular models on the graphic screen. It works on Mac OS X and Windows. It can import and export files for other computational chemistry softwares such as GAMESS and Gaussian. It can also edit molecules by script...

Entwicklungsstatus: 5 - Produktion / stabil
Zielbenutzer: Science/Research
Natürliche Sprache: English, Japanese
Betriebssystem: MacOSX, Windows XP
Programmiersprache: C, C++, Ruby
Benutzerschnittstelle: wxWidgets
Aktivitätsart Perzentil: 23
Aktivitäten-Rangliste: 89Rang
Register Date: 2010-01-21 01:18
Letztes Update: 2004-11-02 17:10

Cactus

Cactus is a general, modular, parallel environment for solving systems of partial differential

equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.

Letztes Update: 2010-03-20 00:48

Java Data Processing Project

データ処理の Java プロジェクト スキャン時間/強度やスペクトルなど科学的なデータを含むテキスト ファイルを操作するために目指しています。Jdpp 持続可能な時間と日付の書式を設定をすべてお読みに大きな柔軟性を提供します。それはもともと MS データを治療するために設計です。

(Machine Translation)
Letztes Update: 2007-09-30 14:30

gElemental

gElemental is a periodic table viewer that
provides detailed information on the chemical
elements. It offers a broad, up-to-date data set,
thematic coloring, a sortable list view, and a
shared library and Python binding. It was
originally based on GPeriodic.

(Machine Translation)
Letztes Update: 2018-08-09 00:04

OpenChrom

!OpenChrom はガス ・ クロマトグラフィーおよび質量分析のためのツールです。フォーカスが別の GC/MS システムやベンダーからデータ ファイルを処理します。その機能とアルゴリズムは、Eclipse RCP に基づく柔軟なプラグインのアプローチを使用して拡張できます。

(Machine Translation)