EnglishFrenchSpanish

Ad


OnWorks favicon

Chemical Trajectory Analyzer download for Windows

Free download Chemical Trajectory Analyzer Windows app to run online win Wine in Ubuntu online, Fedora online or Debian online

This is the Windows app named Chemical Trajectory Analyzer whose latest release can be downloaded as ChemTraYzer_2.1.zip. It can be run online in the free hosting provider OnWorks for workstations.

Download and run online this app named Chemical Trajectory Analyzer with OnWorks for free.

Follow these instructions in order to run this app:

- 1. Downloaded this application in your PC.

- 2. Enter in our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 3. Upload this application in such filemanager.

- 4. Start any OS OnWorks online emulator from this website, but better Windows online emulator.

- 5. From the OnWorks Windows OS you have just started, goto our file manager https://www.onworks.net/myfiles.php?username=XXXXX with the username that you want.

- 6. Download the application and install it.

- 7. Download Wine from your Linux distributions software repositories. Once installed, you can then double-click the app to run them with Wine. You can also try PlayOnLinux, a fancy interface over Wine that will help you install popular Windows programs and games.

Wine is a way to run Windows software on Linux, but with no Windows required. Wine is an open-source Windows compatibility layer that can run Windows programs directly on any Linux desktop. Essentially, Wine is trying to re-implement enough of Windows from scratch so that it can run all those Windows applications without actually needing Windows.

SCREENSHOTS

Ad


Chemical Trajectory Analyzer


DESCRIPTION

ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1

M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 11 (2015), 2517-2524

L.C.Kröger, W.A.Kopp, M.Döntgen, K.Leonhard, "Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 13 (2017), 3955-3960

M.Döntgen, F.Schmalz, W.A.Kopp, L.C.Kröger, K.Leonhard, "Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations", J. Chem. Inf. Model. 58 (2018), 1343-1355

Check the Wiki for bug reports and fixes.



Features

  • Processing of LAMMPS/ReaxFF trajectory simulations
  • Automated detection of reaction events
  • Evaluation of rate constants
  • Generation of reaction networks for later visualization


Audience

Science/Research, Engineering



Programming Language

Python


Categories

Chemistry, Molecular Mechanics

This is an application that can also be fetched from https://sourceforge.net/projects/chemtrayzer/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.


Free Servers & Workstations

Download Windows & Linux apps

  • 1
    AstrOrzPlayer
    AstrOrzPlayer
    AstrOrz Player is a free media player
    software, part based on WMP and VLC. The
    player is in a minimalist style, with
    more than ten theme colors, and can also
    b...
    Download AstrOrzPlayer
  • 2
    movistartv
    movistartv
    Kodi Movistar+ TV es un ADDON para XBMC/
    Kodi que permite disponer de un
    decodificador de los servicios IPTV de
    Movistar integrado en uno de los
    mediacenters ma...
    Download movistartv
  • 3
    Code::Blocks
    Code::Blocks
    Code::Blocks is a free, open-source,
    cross-platform C, C++ and Fortran IDE
    built to meet the most demanding needs
    of its users. It is designed to be very
    extens...
    Download Code::Blocks
  • 4
    Amidst
    Amidst
    Amidst or Advanced Minecraft Interface
    and Data/Structure Tracking is a tool to
    display an overview of a Minecraft
    world, without actually creating it. It
    can ...
    Download Amidst
  • 5
    MSYS2
    MSYS2
    MSYS2 is a collection of tools and
    libraries providing you with an
    easy-to-use environment for building,
    installing and running native Windows
    software. It con...
    Download MSYS2
  • 6
    libjpeg-turbo
    libjpeg-turbo
    libjpeg-turbo is a JPEG image codec
    that uses SIMD instructions (MMX, SSE2,
    NEON, AltiVec) to accelerate baseline
    JPEG compression and decompression on
    x86, x8...
    Download libjpeg-turbo
  • More »

Linux commands

  • 1
    abi-tracker
    abi-tracker
    abi-tracker - visualize ABI changes
    timeline of a C/C++ software library.
    DESCRIPTION: NAME: ABI Tracker
    (abi-tracker) Visualize ABI changes
    timeline of a C/C+...
    Run abi-tracker
  • 2
    abicheck
    abicheck
    abicheck - check application binaries
    for calls to private or evolving symbols
    in libraries and for static linking of
    some system libraries. ...
    Run abicheck
  • 3
    couriermlm
    couriermlm
    couriermlm - The Courier mailing list
    manager ...
    Run couriermlm
  • 4
    couriertcpd
    couriertcpd
    couriertcpd - the Courier mail server
    TCP server daemon ...
    Run couriertcpd
  • 5
    gbklatex
    gbklatex
    bg5latex - Use LaTeX directly on a Big5
    encodedtex file bg5pdflatex - Use
    pdfLaTeX directly on a Big5 encodedtex
    file bg5+latex - Use LaTeX directly on a
    Big5+...
    Run gbklatex
  • 6
    gbkpdflatex
    gbkpdflatex
    bg5latex - Use LaTeX directly on a Big5
    encodedtex file bg5pdflatex - Use
    pdfLaTeX directly on a Big5 encodedtex
    file bg5+latex - Use LaTeX directly on a
    Big5+...
    Run gbkpdflatex
  • More »

Ad