RSS 71 projects tagged "Chemistry"

Download Website Updated 15 Mar 2002 BioJava

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Pop 155.79
Vit 2.38

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.

Download Website Updated 16 Feb 2002 Chemsuite

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Pop 42.38
Vit 1.52

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.

Download Website Updated 22 Sep 2006 JChemPaint

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Pop 173.00
Vit 9.11

JChemPaint is a program for drawing 2D chemical structures like those found in most chemistry textbooks.

Download Website Updated 23 Dec 2003 KMovisto

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Pop 43.27
Vit 3.83

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.

Download Website Updated 30 Nov 2005 XDrawChem

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Pop 130.05
Vit 9.53

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.).

Download Website Updated 08 Mar 2001 Jude

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Pop 24.62
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.

No download Website Updated 16 Mar 2006 CatDCD

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Pop 20.83
Vit 1.80

CatDCD functions much like the Unix "cat" command: it concatenates DCD files into a single DCD file. You can also use CatDCD to write only selected atoms to the final DCD file.

Download Website Updated 02 Mar 2001 FlipDCD

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Pop 16.25
Vit 1.00

FlipDCD is a small utility for reversing the endianism of binary DCD trajectory files from Charmm and NAMD. This can be useful when running simulations on one architecture and visualizing or analyzing the results on another. FixDCD is a tiny utility to modify the header of an X-PLOR DCD file to make it readable by programs expecting Charmm DCD files, at the expense of a Timestep size value in the header.

Download Website Updated 02 Mar 2001 MatDCD

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Pop 17.09
Vit 1.00

MatDCD is a Matlab package for reading/writing DCD-formatted molecular dynamics trajectory files. It supports Charmm and xplor-format DCD files, it can read both big- and little-endian storage formats, and it can specify which atom indices to load without having to load the entire file.

Download Website Updated 02 Mar 2001 Mindy

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Pop 17.20
Vit 1.00

Mindy is a very simple serial molecular dynamics program derived from NAMD source code. It currently uses xplor parameter and structure files. The program is written in very straightforward C++.

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TimeIT

A simple-to-use time tracker.

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PCI Utilities

Utilities for diagnostics and configuration of PCI devices.