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pyVib is a Python-based molecular graphics visualizer. It allows visualizing vibrational modes (from latest gaussian fchk files), the related IR/VCD/Raman/ROA spectra, the GCM's (group coupling matrices) and ACP's (atomic contribution patterns).
This project aims to develop a cross platform environment for utilisation of various open source and freely available molecular dynamics and bioinformatics tools. Some extra features are included such as protein hydrophobicity and hydrophilicity plots.
IntiMap is a convenience tool to run the MS-DOS command-line tool MapPop for selective genotyping. It adds facilities to prepare genotyping data files, manage genotype sets and visualize mapping results (genetic marker maps).
Brabosphere is a multiplatform application with two main uses: a 3D molecular visualisation tool and a graphical frontend for the quantum chemical program BRABO.
A utility for animating molecular vibrations. Normal modes are read from a file automatically determined to be from Aces2, Gamess, PC Gamess, Gaussian 90/92/95/94/98, ADF, Dalton, Jaguar, MOPAC, or Spartan.
Our goal is to create an open source framework and toolset for modeling dynamic cellular network functions, and to develop a user community committed to using, extending and exploiting these tools to further our knowledge of biologic processes.
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The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io
MirkE is a platform-independent Java application using Hibernate, HSQLDB and Colt designed to facilitate common but tedious calculations on spectrophotometric and colormetric data for molecular and cellular biology assays.
Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
GRAnular Media Simulation in C++ using Molecular Dynamics. To be used in PhD work. The code will support: collision, electric dipoles (long range forces), intergranular fluid, and possibly MPI for parallel computing.
Cytoscape is a software platform for computational biology and
bioinformatics, useful for integrating data, and for visualizing and
performing calculations on molecular interaction networks
A Java based molecular modeling program. Has support for generating movies by interpolating between given positions, interactive display and manipulation of atoms and bonds, and dynamic modeling of substance formation.