Chemical Buffers

Jmol is an applet and Java based application designed to display various 3D chemical information. Jmol's features include reading a variety of file types and output from quantum chemistry programs, and animation of multi-frame files and computed normal modes from quantum programs....

SketchEl is an interactive chemical molecule sketching tool, and molecular spreadsheet data entry application. The feature set provided by the molecular sketcher is largely limited to the minimum features required to conveniently edit diagram representations of small molecule structures....

The DynaFit application was developed to perform nonlinear least-squares regression of chemical kinetic, enzyme kinetic, or ligand-receptor binding data. The experimental data can be either initial reaction velocities in dependence on the concentration of varied species (e.g., inhibitor...


Platforms: Windows

ChemDigiT is a chemical calculator. No approximations made. All calculated variables show their exact values. The algorithm used for calculations is based on a full set of equations describing acid/base and salt dissociation equlibrium solved with Newton Raphson method. pH calculation...


Platforms: Windows

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Windows

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Linux

ChemDoodle is a fully functional chemical drawing application that works on every operating system! In addition to being multiplatform, ChemDoodle also natively reads and writes many common file formats including ChemDraw's CDX and CDXML. You can write ChemDraw files for submitting journal...


Platforms: Mac

AMBIT offers chemoinformatics functionality via REST web services and desktop applications. Chemical compounds and data storage in MySQL database; substructure, similarity and other queries, descriptor calculation and predictive models building.


Platforms: Windows, Mac, Linux

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. * Ready-to-use...


Platforms: Windows, Mac, *nix, C/C++, BSD

The five programs provided solve several process design problems. These examples were originally provided as applications of process design optimization by Edgar, Himmelblau and Lasdon in their excellent book entitled Optimization of Chemical Processes, McGraw-Hill International Edition, 2001....


Platforms: Matlab

We use the SRK equation of state to compute the correction factor due to gas-phase nonideality as a result of the high pressure applied in the ammonia synthesis. We also compute the extent of reaction. Plots of these two quantities versus pressure for temperature equal to 800K are presented. The...


Platforms: Matlab

This code generates the electronic distribution for known chemical elements


Platforms: Matlab

The program allows one to choose the best reactor setup among three alternatives: (1) a plug flow reactor with recycle, (2) a combination of a plug flow reactor and a stirred tank reactor in series and (3) two stirred tank reactors in series. This problem was solved graphically by O. Levenspiel...


Platforms: Matlab

The GUI application allows the user to enter the parameters of the Antoine equation and then plot vapour pressure of any chemical component versus temperature.


Platforms: Matlab

This m-file gives the atomic weight of any element or molecular weight of any chemical species.Input:species = (cell array)The species is the 'formula'.Output:Atomic weight of any element or molecular weight of any chemicalspecies.


Platforms: Matlab

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

Science Laboratory Inventory and Orders Management System: more suitable for school's science laboratories to manage stored items (chemical and equipment) and add a way to order them on-line for science lessons and practical experiments.


Platforms: PHP

* jCompoundMapper provides popular fingerprinting algorithms for chemical graphs such as depth-first search fingerprints, shortest-path fingerprints, extended connectivity fingerprints, autocorrelation fingerprints (e.g. CATS2D), radial fingerprints (e.g. Molprint2D), geometrical Molprint, atom...


Platforms: Mac

Protocol buffers are a flexible, efficient, automated mechanism for serializing structured data ?*Nz??a*sA*???*Ns think XML, but smaller, faster, and simpler. You define how you want your data to be structured once, then you can use special generated source code to easily write and read your...


Platforms: Mac

Unknown Fields (i.e. Fields not defined in the Proto File) are not visible. The project wraps Protocol Buffers objects as RecordEditor objects http://record-editor.sourceforge.net/ then calls the RecordEditor to do the actual editing. It is a member of a family of Editors that use a common...


Platforms: Mac