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...
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Register Date: 2010-01-21 01:18
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相關的專案GLmol, wxEWA for spectrum evaluation, ISPyB, Eos-Image Analysis Environment, 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.
相關的專案MPC-BE, Dumpper v.60.3, CosmoDB, Samurai Graph, Media Player Classic - Home Cinema |
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.
Avogadroは、計算化学、分子モデリング、バイオインフォマティクス、材料科学、およびそれらの関連分野で使用するための高度でクロスプラットフォームな分子エディタです。柔軟なレンダリングのフレームワークと強力なプラグインアーキテクチャを提供しています。
相關的專案Molby - A Molecular Modeling Software, GLmol, MPC-BE, MeCab, Dumpper v.60.3 |
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。
相關的專案Media Player Classic - Home Cinema, KODS (Klein's Optical Design Software), Win32 Disk Imager, MPC-BE, GLmol |
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.
相關的專案SmillaEnlarger, OpenMIDIProject, 円盤複写屋, NyARToolKit, Open Source QR Code Library |
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.).
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.
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.
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.
相關的專案Darik's Boot and Nuke, MeCab, eCos/RedBoot for H8/300, Mona, DeSmuME |
gperiodic is a program for browsing the periodic
table and looking up data for different elements.
It also features a non-graphical interface.
相關的專案Darik's Boot and Nuke, DeSmuME, JYUGEM, CosmoDB, gpx2shp |
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.
JChemPaint アプレットと Swing アプリケーションはほとんどの化学教科書で見つけられるそれらのような二次元化学構造を描画するための Java プログラムです。それは化学開発のキット (cdk.sf.net) に基づいています。Http://jchempaint.github.com ダウンロード、追跡、およびソース コード リポジトリで掲載することができます。
相關的專案Samurai Graph, MPC-BE, Media Player Classic - Home Cinema, GalateaTalk, MeCab |
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.
GLmol is a 3D molecular viewer based on WebGL and Javascript. You can embed molecular models in Web pages without using Java or plugins.
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Register Date: 2011-10-27 08:04
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相關的專案Cantera, GSLtools, wxEWA for spectrum evaluation, SASHIMI, vcemed |
