Cool new software

Scientific Software A whole bunch of new software to highlight today:

In our Engineering section, we have two new packages: OOFEM is an object oriented, parallel, multiphysics finite element code system for solving mechanical, transport and fluid mechanics problems, and ASCEND is a generalized modelling environment for engineering and science problems. It offers: an object-oriented model description language for describing your system, an interactive user interface that allows you to solve your model and explore the effect of changing the model parameters, and a scripting environment that allows you to automate your more complex simulation problems.

Our Molecule Viewers and Editors section sees the addition of Avogadro, a new molecular editor built on OpenBabel that looks like it will be great (although I can’t find a download link to try it out).

I’m really excited to see CP2K show up in our Theoretical & Computational Chemistry section. CP2K is performs atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.

PhyloSort is a neat Java code that sorts phylogenetic trees by searching for user-specified subtrees that contain a monophyletic group of interest defined by operational taxonomic units. Look for it in our Bioinformatics section.

And the newest link is to massXpert, a follow on package by the author of polyXmass. massXpert simulates and analyzes mass spectrometry data obtained on linear (bio-)polymers. Both massXpert and polyXmass can be found in our Analytical Chemistry section.

Check them out and keep those suggestions coming!

[tags]open source, science, software[/tags]

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2 Responses to Cool new software

  1. Thanks for listing Avogadro! We’ve been working hard this summer and should have our next release in late July, and another in August.

    If you’d like to download the first beta (0.1), or get the code, you can check the SourceForge project page.

    I’ll go add a download link to the main site, along with some screenshots.

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  2. John Pye says:

    Thanks also for listing ASCEND. We’d be really interested to hear your thoughts about it, once you’ve giving it a drive.

    Cheers
    JP

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