Chem

Gabedit is a Graphical User Interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC and Q-Chem computational chemistry packages.Gabedit includes graphical facilities for generating keywords and options, molecule specifications and their input sections for even the most advanced calculation...

Plots the contours of a function defined on an unstructured triangular grid directly, without the need to interpolate back onto a Cartesian array.I have attempted to replicate much of the functionality of the regular "contour" function.Type "help tricontour"Type "contourdemo" for some examplesYou...

ICE Cafe is a software for viewing sequence chromatgram, and measuring peak intensity of each peaks. ICE Cafe is firstly developed for the purpose of detecting RNA Editing using ICE method. However, ICE Cafe also can be used when one uses conventional RNA Editing detection method in which...


Platforms: *nix

As of January 2018, the Kintecus simulation software has been cited over 300 peer reviewed high impact factor journals: SCIENCE, JACS, PNAS, J. Phys. Chem.A, NATURE, PCCP, J. Biol. Chem., Plas. Chem. Plas. Proc., Int. J. Chem. It is an Industrial Strength/Research Grade chemical modeling,...


Platforms: Windows, Windows 8, Windows 7, Windows Server

ChemMaths is a engineering,mathematical and chemistry program. In addition interfaces with media player to allow playing of music,videos, ripping,burning cd's and includes a web browser to further solve problems, obtain information using the web. Software suitable for...


Platforms: Windows, Windows 7, Windows Server

EquationsPro is a chemical engineering,mathematical and chemistry program. Software suitable for chemistry,chemical engineering students and professionals. Solves 500+ chemical/electrical/civil/mechcanical engineering,design,distillation, physics, and mathematical equations. Contains 200+ unit...


Platforms: Windows, Other

ProsimGraphsPro is a process simulation package. Allows for pipe flow processes to be to be simulated. Vessels, pumps, valves can be added and controls manipulated for various situations. Draw, rotate, manipulate 2D/3D graphs. Contains many predefined mathematical graph equations. Chemdesinger...


Platforms: Windows, Other

UnitsPro not only contains hundreds of predefined unit conversions, but also enables the addition and editing of further unit conversions by the user. UnitsPro is a complete unit conversion program. Contains over 100 pre-defined unit conversions. Enables addition and editing of existing and new...


Platforms: Windows

MTASC is the first ActionScript 2 Open Source free compiler. MTASC project can compile large number of .as class files in a very short time and generate directly the corresponding SWF bytecode without relying on Macromedia Flash or other tools. You can download it now and please read the...


Platforms: *nix

Model ChemLab originated from academic work in computer simulation and software design at McMaster University. It has continued to be developed with extensive input from educators interested in the possible application of computer simulations for classroom and distance learning. Model ChemLab is...


Platforms: Mac

A Mass Spectrometer B and Y ion labeling software for proteomics researchers. Peptide sequences can be read from a library and b and y ions will be calculated and sequence can be manipulated by the user (chem. mod. or amino acid mod.)


Platforms: Windows, Mac, Linux

This tool enhances signal detection for broad-mass TOF spectra by accounting for changing peak width and providing peak-shape-dependent filtering capabilities. A set of input TOF spectra is processed to produce aligned peak list and array of corresponding signal intensities. Signal processing...


Platforms: Matlab

In this submission we present the code of the Replacement Method (RM) [1-4] and Enhanced Replacement Method (ERM)[5], that were proposed some time ago by our group. Both methods produce linear regression QSPR-QSAR models that are quite close the FS (full search) ones with much less computational...


Platforms: Matlab

The m-file overlap_integral.m calculates the vibrational overlap integral between two nuclear wavefunctions using the formalism developed by Sharp and Rosenstock (J. Chem. Phys., 41:3453, 1964). This function requires the MATLAB Symbolic Toolbox in order to run correctly. The m-file...


Platforms: Matlab

Solve for the transient stage compositons in an ideal binary distillation column using ode45.Source: (c) 1997 B. Wayne Bequette - 24 Jan 1997 revised 31 Dec 96http://www.rpi.edu/dept/chem-eng/WWW/facul.../MATLAB/mod_10/Modified by Giovani Tonel (giovani.tonel@ufrgs.br) October 2006


Platforms: Matlab

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

for Lebedev quadratures on the surface of the unit sphere at double precision. **********Relative error is generally expected to be ~2.0E-14 [1]******** Lebedev quadratures are superbly accurate and efficient quadrature rules for approximating integrals of the form $v = iint_{4pi} f(Omega) ud...


Platforms: Matlab