Simple Project List Software Map

146 projects in result set
最后更新: 2012-08-29 23:58

GLmol

GLmol is a 3D molecular viewer based on WebGL and Javascript. You can embed molecular models in Web pages without using Java or plugins.

最后更新: 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)
最后更新: 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)
最后更新: 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...

发展现状: 5 - Production/Stable
目标用户: Science/Research
自然语言: English, Japanese
作业系统: MacOSX, Windows XP
编程语言: C, C++, Ruby
用户界面: wxWidgets
活动百分: 23
Activity Ranking: 88Ranking
Register Date: 2010-01-21 01:18
最后更新: 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)
最后更新: 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)
最后更新: 2002-03-15 07:35

BioJava

BioJava aims to provide a comprehensive set of Java components for the rapid development of applications in Bioinformatics. It contains interfaces for representing Sequences, Features, and other important bioinformatics concepts. It can also read and write sequence data in a variety of common formats and communicate with Ensembl databases and with DAS and BioCorba servers.

最后更新: 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)
最后更新: 2009-07-10 17:19

Open Babel

Open Babel is a community-driven scientific project including both cross-platform programs and a developer library designed to support molecular modeling, chemistry, and many related areas, including interconversion of file formats and data.

最后更新: 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)
最后更新: 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.

最后更新: 2022-03-21 06:06

Jmol

Jmol/JSmol は、3次元の分子化学構造のためのビュワーで、次のそれぞれ4つのモードで働きます。jQuery を用いる HTML5-only のウェブアプリケーションとして、Java applet として、スタンドアローンの Java プログラム (Jmol.jar) として、そして、"headless" なサーバーサイドのコンポーネント (JmolData.jar)として。 Jmol は次に示すような複数のファイルタイプに対応しています。PDB, CIF, SDF, MOL 形式の他、PyMOL PSE や Spartan のファイル、そして、Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, およびその他の量子化学計算プログラムからの出力など。 いくつかのデータベース( RCSB, EDS, NCI, PubChem, MaterialsProject )からは、直接ファイルを読み込むことができます。また、複数のファイルを読み込んで、同時に比較することができます。 豊富な記述言語とよく作りこまれた web API によって、ユーザのインターフェイスを簡単に最適化することができます。 インタラクティブなアニメーションと線形のモーフィングなどが可能です。Jmol のインターフェイスは、次のような目的に適しています。分光法における JSpecView、JSME における 2D → 3D 変換、POV-Ray の画像、そして CAD プログラムの 3D プリンティング (VRML export)。

最后更新: 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)
最后更新: 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.

最后更新: 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.