Chemical Structure Platypus Venom

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...

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.

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

Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.


Platforms: Windows, Mac, Linux

A GUI application which estimates toxic hazard of chemical compounds. The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation prediction -Eye irritation prediction -Benigni / Bossa...


Platforms: Windows, Mac, Linux

The str() function in the standard library behaves in a slightly weird way when applied against lists: on each element of the list, the repr() is appended. In contrast, this module provides a deep_str() that deeply applies str() across lists. This module also provides utilities to develop custom...


Platforms: Windows, Mac, *nix, Python, BSD Solaris

txt2graph should visualize the structure and dependencies of a text. It reads a text document from stdin, removes all non-alphas and generates an array (list) of words. Then it converts german-umlauts, because graphviz can only handle clean ASCII as node-description and output a dot-file for a...


Platforms: *nix, Perl, BSD

This script uses Python's superb text handling capability to parse and build the data structure from the input text.


Platforms: Windows, Mac, *nix, Python, BSD Solaris

It can be used in reverse-engineering ERD (Entity-Relationship Diagrams) to create UML-style table structure diagrams.The program outputs OpenOffice.org Draw (.sxd) files, so the results are editable.The program can also output a machine readable textual explanation of the diagram it is writing.


Platforms: Windows, Mac, *nix, Python, BSD Solaris

Quick and easy FIFO queue class is an easy First-In-First-Out queue class based on Python's List data structure.


Platforms: Windows, Mac, *nix, Python, BSD Solaris

This script is a simple implementation of an octree data structure in python. Its use is primarily for fast collision or view frustrum culling in interactive 3d environments, but its possible uses are quite open-ended. It was originally written for use with the pyOgre 3d engine binding. The code...


Platforms: Windows, Mac, *nix, Python, BSD Solaris

This data structure acts almost like a dictionary, with two modifications: First, D.smallest() returns the value x minimizing D[x]. For this to work correctly, all values D[x] stored in the dictionary must be comparable. Second, iterating "for x in D" finds and removes the items from D in sorted...


Platforms: Windows, Mac, *nix, Python, BSD Solaris

This happens because the structure of the URL generated conflicts with that of post pagination.InstallationUnpack and upload it to the /wp-content/plugins/ directory.Activate the plugin through the 'Plugins' menu in WordPress. Requirements: - WordPress 2.5 or higher


Platforms: Windows, Mac, *nix, PHP, BSD Solaris

This plugin is useful for the migration of an old permalink structure to a new one.InstallationDownload advanced-permalinks.zipUnzipUpload advanced-permalinks directory to your /wp-content/plugins directoryGo to the plugin management page and enable the pluginConfigure the options from the...


Platforms: Windows, Mac, *nix, PHP, BSD Solaris

This allows the creation of a complex hierarchical structure that can be browsed.InstallationUnpack and upload it to the /wp-content/plugins/ directory.Activate the plugin through the 'Plugins' menu in WordPress. Requirements: - WordPress 2.0 up to 2.1.2


Platforms: Windows, Mac, *nix, PHP, BSD Solaris

Reads a NMEA 0183 (National Marine Electronics Association) sentence (or string) into a Matlab structure.


Platforms: Matlab

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

This is a simple linear fem analysis of a 3D truss structure. Displacements, stress and strain are calculated.It Can be used for any structure, you just need to have coordinates and connectivity data.I tried to make the code the more readeable I could. This way user can change it and make it...


Platforms: Matlab