Buffer Chemistry
A fast XML pull-parser with constant buffer size. Only a subset of XML 1.0 is supported.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 27.27 KB | Download (46): RPXmlParser Download |
When you create a new file with Emacs, package Template supplies an initial
buffer content via a template: a file with normal text and expansion
forms. There is a menu to easily create such templates. You can also use new
commands to decorate comments.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 33.46 KB | Download (50): Template Package for Emacs Download |
The CCP1GUI project aims to develop a free, extensible Graphical User Interface to various computational chemistry codes developed by the worldwide academic community, with an emphasis on ab initio Quantum Chemistry codes.
Platforms: Windows, Mac, Linux
License: Freeware | Size: 3.37 MB | Download (45): The CCP1GUI Download |
Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
Platforms: Mac, BSD, Linux
License: Freeware | Size: 551.24 KB | Download (47): Viewmol Download |
MacMolPlt is a Chemistry visualization tool that can be used to build molecules with an integrated graphical model builder, create input files for the GAMESS computational chemistry program, and then visualize the results of computational chemistry runs. Features include a high-quality 3D...
Platforms: Mac
License: Freeware | Size: 7 MB | Download (50): MacMolPlt Download |
This is a plug-in in AudioUnit format. It is a utility plug-in that delays audio by an exact number of sample frames, which can be useful when attempting to sync up audio accounting for delays through certain digital devices.
What's new in this version:
* First Universal Binary version
*...
Platforms: Mac
License: Freeware | Size: 71.68 KB | Download (47): Buffer Delay AU Download |
The concept behind this library is that it uses HTML tables as the screen buffer, where every table cell is considered a pixel.When the pixel needs to be animated, it just changes its background color. Limitations: - HTML tables are not meant to be used in the way this library uses them. This...
Platforms: Windows, Mac, *nix, JavaScript, BSD Solaris
License: Freeware | Download (57): JSFBGL Download |
XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry...
Platforms: Windows, Mac, *nix, C/C++, BSD Solaris
License: Freeware | Download (66): XDrawChem Download |
Function: Savitzky-Golay Smoothing and Differentiation Filter The Savitzky-Golay smoothing/differentiation filter (i.e., the polynomial smoothing/differentiation filter, or the least-squares smoothing/differentiation filters) optimally fit a set of data points to polynomials of different degrees....
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (41): Savitzky-Golay Smoothing and Differentiation Filter Download |
This could be very useful model when used in signal processing. I have implemented this to filter the disturbances in my ADC signals in my programming and it works good.
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (42): Buffering and taking the mean of the buffer contents Download |
1 Introduction PLS-DA for data analysis in chemistry and OMICS studies. Also included in this package are 3 variable selection methods: 1) target projection (TP) 2) competitive adaptive reweighted sampling (CARS) 3) subwindow permutation analysis (SPA). SPA is based on model pupulation analysis...
Platforms: Matlab
License: Freeware | Size: 768 KB | Download (47): partial least squares-discriminant analysis and variable selection for high dimensional data Download |
This is a little script that adds several Gaussian or Lorentzian functions with the appropriate full width at half max and height to generate and plot a spectrum. The input is an array containing frequency vs oscillator strength, desired fwhm of the peaks and method for generating the spectrum....
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (39): Generate Spectrum Download |
Computation of the residue curve map for the MTBE chemistry is presented in the program. The equilibrium, taking place in the liquid phase, transforms methanol and isobutene into MTBE with n-butane being an inert component. Thermodynamic data can be found in the excellent paper by Niang and...
Platforms: Matlab
License: Freeware | Size: 20.48 KB | Download (40): Residue Curve Map for the mixture MTBE/Methanol/isobutene/n-butane at P=1 atm Download |
The two programs computes residue curve maps for the methyl acetate and isopropyl acetate chemistries at atmospheric pressure. These calculations involve solving a complex system of differential algebraic equations (DAEs). This can be readily achieved using the built-in function of MatLab,...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (42): Residue Curve Map for Homogeneous Reactive Quaternary Mixtures Download |
Implementation based on:"Finite-Element Discretization Of Static Hamilton-Jacobi Equations Based On A Local Variational Principle"by F. Bornemann and C. RaschComments:1. There is no restriction on the type of triangulation, i.e. it does not need to be acute. But the method will require more than...
Platforms: Matlab
License: Freeware | Size: 307.2 KB | Download (40): Hamilton-Jacobi solver on unstructured triangular grids Download |
From undergraduate chemistry, we know how to test whether a reaction is 0th, 1st, or 2nd order by plotting different transformations of the data, and inspecting which plot fits the best.This program does the same thing. It transforms the data using different values of the order, attempting to...
Platforms: Matlab
License: Freeware | Size: 10 KB | Download (40): orderseek - Finds chemical reaction order Download |
This is a complete set of MATLAB codes for calculating effective Pitzer inertias for large amplitude torsions. Specific examples included in the zip file were taken from the publication by Bryan M. Wong, Ryan L. Thom, and Robert W. Field in The Journal of Physical Chemistry A 110, 7406 - 7413...
Platforms: Matlab
License: Freeware | Size: 256 KB | Download (39): Pitzer Inertias Download |
It can be used to measure the total concentration of carbohydrate, protein, and lipid contents from solid wastes.The procedure was formulated to generate the detailed input required for the International Water Association (London, United Kingdom) Anaerobic Digestion Model number 1 (IWA-ADM1).The...
Platforms: Matlab
License: Freeware | Size: 266.24 KB | Download (39): Transformer: A Procedure to Estimate Proximate Analysis for Chemistry and Physics Download |
sendmsg is a http-based chat script written in php.It is geared towards developers who want a quick and extensible feature for their website. The data is written to a simple enough format (text file) that it is easily parsible by other programs. A flash template is included with the package.How...
Platforms: PHP
License: Freeware | Size: 10 KB | Download (45): sendmsg for Scripts Download |
This script can manipulate PHP output with named pipe buffers. It can capture PHP script output and store it in one or more buffer variables associated with given names.The script also can reorder, disable and manipulate the buffered output before sending it to the browser.
Platforms: PHP
License: Freeware | Size: 10 KB | Download (41): OBPipe Download |