Search Results for "md" - Page 5
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Showing 111 open source projects for "md"
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Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.
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OpenTAU is a physics simulation package written in Java. It is intended for scientifical application as it incorporates FEM, FDM and MD and other simulation techniques. Also contains a fast math library.
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A conversion & expansion of Fanfiction (Fictioneer) or eFiction to work with MD-Pro & Post Nuke. Easy to use php/mysql based story archiving system. Allows for private or public submissions of original stories (fan fics) to a site through web interface.
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Error to trace to log to deploy. One click. No SSH.AppSignal links every error to the trace, the trace to the log, the log to the deploy that shipped it.
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ddutils (drug design utils) contains programs and libraries applied in drug design. It is designed to cover all fields in CADD, such as ADME, QSAR, MD, molecular docking, solvation effect and free energy prediction.
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YAMDAGER (Yet Another MiniDisc manAGER) makes mp3 ripping on Sony MD players easy. Includes auto titling of song names, with a simple Hw interface
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This xmms-plugin strives to take care of all aspects of minidisc recording on Sony decks. It sets track marks, and adds track titles while recording. The idea is to pop a disc into your deck, hit play in xmms and the rest takes care of itself.
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Complete automation for Sony CD and DVD changers, as well as MD player/recorders. Soon amplifiers, TV's and receivers may be supported, too. Play lists, jukebox style requests, scene access, etc are all possible.
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md-utils
Utilities to analyze molecular dynamics data
md-utils is a set of command line tools written in C designed to perform certain operations and analysis on the molecular dynamics data. The supported operations involve trajectory coordinate transformation to the COM system, Cartesian coordinate transformation to selected internal coordinates and to projected normal mode coordinates, trajectory merging, selecting subsets of trajectory frames, selecting subsets of atoms, permuting atoms, etc. -
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