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Author Archives: Dan Gezelter
Do you have an idea for a project?
Over in the OpenScience Forums, we have a discussion starting on New Project Ideas. Got an idea for a project? Need some collaborators? Come on over and brainstorm it here.
Two new user-contributed links
Today we have added links to GAMGI in the Molecule Viewers and Editors section and MultiWell in the Chemical Kinetics section. Thanks to the two OpenScience users who pointed these out!
Posted in Software
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GAMGI
The General Atomistic Modelling Graphic Interface. GAMGI aims to be useful for: 1) the scientific community working in Atomistic Modelling, that needs a graphic interface to build input data and to view and analyse output data, calculated with Ab-Initio and … Continue reading
Posted in Molecule Viewers and Editors
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Jalview
Jalview is a multiple alignment editor written entirely in java. Find Jalview at: http://www.ebi.ac.uk/~michele/jalview/
Posted in Bioinformatics
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Readseq
Read & reformat biosequences Find Readseq at: http://iubio.bio.indiana.edu/soft/molbio/readseq/java/
Posted in Bioinformatics
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When more is more: Parallel Computing
We’ve added two new links to very useful tools for scientific programming. Both are in our Data Communication section. MPICH is the ubiquitous MPI implementation, which our own research groups have been using for years. LAM/MPI is a newer MPI … Continue reading
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LAM/MPI Parallel Computing
LAM/MPI is a high-quality open-source implementation of the Message Passing Interface specification, including all of MPI-1.2 and much of MPI-2. Intended for production as well as research use, LAM/MPI includes a rich set of features for system administrators, parallel programmers, … Continue reading
Posted in Data Communication
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Monte Carlo
There is a new user-suggested entry today in our Monte Carlo methods section. MCCCS Towhee is an advanced Monte Carlo simulation package which can do Gibbs ensemble MC simulations in liquid, solid, and porous phases. Do you have a favorite … Continue reading
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MCCCS Towhee
Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling. The code has subsequently been … Continue reading
Posted in Monte Carlo methods
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