68 projects tagged "Chemistry"
Updated 16 Jul 2003
ChemApp
| Pop | 34.44 |
|---|---|
| Vit | 1.19 |
ChemApp is a programming tool from the area of computational thermochemistry. It is a library consisting of a rich set of subroutines, based on the thermodynamic phase equilibrium calculation module of ChemSage. It permits the calculation of complex, multicomponent, multiphase chemical equilibria and their associated energy balances. ChemApp is available as object code for a wide range of platforms and as a shared library/DLL. ChemApp "light" is the free version of ChemApp, and although it is restricted in two ways compared to the regular version, it gives you almost the same functionality.
Updated 16 Feb 2002
Chemsuite
| Pop | 43.95 |
|---|---|
| Vit | 1.53 |
Chemsuite is a set of programs to process chemical information. It includes a 2D/3D molecular drawing, Infrared and NMR processing tools, and chemical reaction simulation (Monte carlo) software for Unix/Linux.
Updated 24 Dec 2011
Chemtool
| Pop | 200.69 |
|---|---|
| Vit | 13.93 |
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.
Updated 17 Feb 2010
KMol
| Pop | 35.87 |
|---|---|
| Vit | 4.18 |
KMol calculates the elemental compositon and molecular weight of compounds from their chemical formula. KMol supports user defined groups and elements, unlimited nesting of subgroups, multicomponent compounds, global and per-user symbol definitions.
Updated 23 Dec 2003
KMovisto
| Pop | 49.40 |
|---|---|
| Vit | 3.88 |
KMovisto is a free molecule viewer which reads GAUSSIAN files, exports POV-Ray scripts for high quality presentations, and VRML files for creating 3D molecule sceneries for the Web.
Updated 16 Nov 2004
Viewmol
| Pop | 56.89 |
|---|---|
| Vit | 2.56 |
Viewmol is a program for building and editing molecules as well as for the visualization of outputs from quantum chemical and molecular mechanics programs. Currently supported are Gaussian 9x, Gamess, Discover, DMol/DSolid/DMol3, Gulp, Mopac, Turbomole, and PDB files. Properties visualized include geometry (with various drawing modes), vibration (animated or with arrows), optimization history/MD trajectories, MO energy level diagram, MOs, basis functions, and electron density. Drawings can be saved as TIFF, HPGL, Postscript, and input files for Rayshade. Viewmol has an embedded Python interpreter for automation. The program is language independent and currently "speaks" English, French, German, Russian, or Spanish.
Updated 30 Nov 2005
XDrawChem
| Pop | 131.97 |
|---|---|
| Vit | 9.76 |
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.).
Updated 08 Mar 2001
Jude
| Pop | 27.39 |
|---|---|
| Vit | 1.42 |
Jude is a rapid application development tool to develop data management workgroup applications that easy-to-maintain for developers and easy-to-use for end users. It is based on a knowledge base with an object oriented structure on the server side and a compound document agent-based user interface on the client side.
Updated 11 Oct 2011
uLan Driver
| Pop | 46.77 |
|---|---|
| Vit | 8.08 |
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.
Updated 05 Apr 2002
Open Source Electronic Lab Notebook
| Pop | 34.86 |
|---|---|
| Vit | 1.45 |
Open Source Electronic Lab Notebook is based in Zope and is particularly suited to use in educational settings.
