77 projects tagged "Chemistry"
Updated 15 Mar 2002
BioJava
| Pop | 119.85 |
|---|---|
| Vit | 2.39 |
BioJava aims to provide a comprehensive set of Java components for the rapid development of applications in Bioinformatics. It contains interfaces for representing Sequences, Features, and other important bioinformatics concepts. It can also read and write sequence data in a variety of common formats and communicate with Ensembl databases and with DAS and BioCorba servers.
Updated 02 Nov 2004
Cactus
| Pop | 126.57 |
|---|---|
| Vit | 3.52 |
Cactus is a general, modular, parallel environment for solving systems of partial differential equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.
Updated 16 Feb 2002
Chemsuite
| Pop | 43.68 |
|---|---|
| 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 | 189.55 |
|---|---|
| Vit | 13.59 |
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 30 Jan 2001
EGO
| Pop | 45.30 |
|---|---|
| Vit | 1.00 |
EGO is a program to perform molecular dynamics simulations on parallel as well as on sequential computers. Supported parallel machines include the Hitachi SR8000, CRAY-T3E, IBM-SP2, Fujitsu VPP700, Parsytec-CC under PARIX, and inhomogeneous clusters of UNIX workstations under PVM or MPI. EGO also runs sequentially on any decent UNIX workstation, even Windows95/NT PC's (with a GNU-C compiler) can be used.
Updated 22 Sep 2006
JChemPaint
| Pop | 163.66 |
|---|---|
| Vit | 9.38 |
JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.
Updated 01 Oct 2006
Jmol
| Pop | 197.64 |
|---|---|
| Vit | 8.44 |
Jmol is a Free, Open Source molecule viewer and editor. It is a collaboratively developed visualization and measurement tool for chemical scientists. Jmol is an active project, and there are new features being added to it on a daily basis. Users are encouraged to modify it to fit their needs and to contribute their changes to the project.
Updated 23 Dec 2003
KMovisto
| Pop | 49.56 |
|---|---|
| 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 | 58.58 |
|---|---|
| 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 | 127.66 |
|---|---|
| Vit | 9.74 |
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.).
