openmm.org openmm.org

openmm.org

OpenMM

A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C , and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia. Suite of tools for predictive biomolecular simulation. Extreme Flexibility. Extreme Speed. Install using the conda. Python package manager that powers the Omnia ecosystem. Get started right away with OpenMM tutorials.

http://www.openmm.org/

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A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C , and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia. Suite of tools for predictive biomolecular simulation. Extreme Flexibility. Extreme Speed. Install using the conda. Python package manager that powers the Omnia ecosystem. Get started right away with OpenMM tutorials.
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OpenMM | openmm.org Reviews

https://openmm.org

A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C , and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia. Suite of tools for predictive biomolecular simulation. Extreme Flexibility. Extreme Speed. Install using the conda. Python package manager that powers the Omnia ecosystem. Get started right away with OpenMM tutorials.

INTERNAL PAGES

openmm.org openmm.org
1

OpenMM Documentation

http://openmm.org/documentation.html

Resources for finding your way around OpenMM. The easiest way to get started is to familiarize yourself with the User Guide, which contains basics about installing OpenMM, making sure that it runs smoothly, and running a couple of example simulations. Start here if it's your first time using OpenMM. These documents will get you up and running simulations in short order. This section provides in-depth information on the code-base and how to contribute to the development of OpenMM itself.

2

Resources

http://openmm.org/resources.html

Resources that make it easier to use OpenMM. The OpenMM team has reviewed the links on this page. We also encourage the community to add their own contribution. A web application to generate scripts for running OpenMM simulations. Includes pull-down menus, pop-up tips, error checking, and live script building capabilities. Multiple time step integrator. A set of integrators for performing aMD, an accelerated sampling method that modifies the energy surface to increase the rate of transitions.

3

About OpenMM

http://openmm.org/about.html

Backed by researchers and developers from Stanford University, MSKCC, and others around the world. Want a custom force between two atoms? No problem. Write your force expressions in string format, and OpenMM will generate blazing fast code to do just that. No more hand-writing GPU kernels. OpenMM is optimized for the latest generation of compute hardware, including AMD (via OpenCL) and NVIDIA (via CUDA) GPUs. We also heavily optimize for CPUs using intrinsics. Get started quickly with the Python Wrapper.

4

OpenMM Support

http://openmm.org/support.html

For help on submitting bug reports, requesting features, etc. Use the Bug Tracker. To file bug reports. Please include as much information about your hardware, simulation parameters, and system as possible. It is highly recommended to included serialized XML files of your System, Integrator, and State objects. For general help on how to use OpenMM, check out our forum. Or refer to our troubleshooting guide. A list of recommended hardware is available here.

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openmm.net openmm.net

Openmm Open Source Community in Myanmar

http://www.openmm.net/invite.htm

4126;ိုႚ. 4133;ီး/ေဒၞ. 4126;တင္းစာ/မဂၢဇင္း/ဂဵာနယ္။. 4145;နႚစၾဲ း ၁၅-၁၂-၂၀၀၅. 4124;ူ႒ကီးမင္းခင္ဗဵား. 4112;စ္ခုကို ေအာင္ဴမင္စၾာ ေရးဆၾဲႎုိင္ခဲ့ပၝသည္။. 4123;က္စၾဲ - (၁၇- ၁၂ - ၂၀၀၅ ) စေနေနႚ. 4129;ခဵိန္ - ေနႚလည္ ၁ း ၀၀ မႀ ၃ း ၀၀ နာရီ. 4145;နရာ - MCF သင္တန္းခန္းမ. 4129;ေဆာင္(၁) ၊ အခန္း (၁). 4124;ိႁင္႓မိႂႚနယ္ ၊ ရန္ကုန္႓မိႂႚ။. 4102;က္သၾယ္ရန္. 4129;ေဆာင္(၄) ၊ အခန္း (၂). Myanmar Info-Tech (MICT Park). 4118;ုန္း - ၆၅၂၂၉၁. E-mail : info@openmm.org.

proteinfoldingconsortium.com proteinfoldingconsortium.com

Protein Folding Consortium

http://www.proteinfoldingconsortium.com/software

Read, write and analyze MD trajectories with only a few lines of Python code. MDTraj is a python library that allows users to manipulate molecular. (more). Open Source - Lgpl V2.1. MSMBuilder is a python package which implements a series of statistical models for high-dimensional time-series . the particular focus of the libr. (more). Open Source - Gnu Lgpl. Open Source - Mit. Open Source - Gnu General Public Licens. A simple calculator to propigate error through calculations.

rmcgibbo.github.io rmcgibbo.github.io

OpenMM Script Builder

http://rmcgibbo.github.io/blog/2013/05/23/openmm-builder

Computational Chemistry, Python, Politics, Policy. May 23, 2013. Custom OpenMM scripts right in the browser! Is one of the most flexible molecular dynamics packages, put it can be a little intimidating for the new user. Instead of interacting with it via a set of command line scripts, as one would with amber or gromacs, to interact with OpenMM you write a little python script. If you've never written a script before, this might seem a little unfamiliar, but it's an incredibly powerful paradigm.

folding.typepad.com folding.typepad.com

Folding@home: code development

http://folding.typepad.com/news/code-development

A blog all about Folding@home, from its Director, Prof. Vijay Pande. Http:/ folding.stanford.edu. C) 2007-2012 Vijay Pande. August 23, 2013. Reminder about aging cores (eg Core11, Core78). One aspect which has dominated FAH for a decade is the continual push for new scientific approaches.  This manifests itself in terms of new scientific cores. 0160;For example, the new GPU core (Core17) has brought huge speed improvements (especially to AMD GPUs) and involved a complete rewrite. The bottom line is that ...

rmcgibbo.github.io rmcgibbo.github.io

Robert's Notebook

http://rmcgibbo.github.io/category/misc.html

Computational Chemistry, Python, Politics, Policy. Next Steps With Swift. Jun 04, 2013. Let's try doing something a little more complicated with swift. Here's my new swift script. Basically, it's going to run a python script on each of a set of input files. Pythonscript; app (. Pythonscript script, File input ). Read On ↵. Jun 03, 2013. Is a parallel scripting language developed at the U. Chicago Computation Institute. It provides a way to manage heterogeneous clusters. I have. Read On ↵. May 26, 2013.

choderalab.org choderalab.org

Code — Chodera lab // MSKCC

http://www.choderalab.org/code

Chodera lab / MSKCC. Chodera lab / MSKCC. Chodera lab / MSKCC. Changing drug discovery one ratio of partition functions at a time. Chodera lab / MSKCC. See the Chodera lab. We contribute applications and tools to the Omnia suite. Of molecular modeling and simulation tools based on the OpenMM. GPU-accelerated molecular modeling package. An open, extensible platform for GPU-accelerated alchemical binding free energy calculations. Using the OpenMM toolkit.

rmcgibbo.github.io rmcgibbo.github.io

Robert's Notebook - web

http://rmcgibbo.github.io/tag/web.html

Computational Chemistry, Python, Politics, Policy. May 23, 2013. Custom OpenMM scripts right in the browser! Is one of the most flexible molecular dynamics packages, put it can be a little intimidating for the new user. Instead of interacting with it via a set of command line scripts, as one would with amber or gromacs, to interact . Read On ↵.

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Openmm Open Source Community in Myanmar

Thank you very much for your visiting. We are looking forward to Open Source Community in Myanmar, we attempt to make a plan for public participation column. Now, we have performed successfully our first step to translate terminology, especially computer term- intending to solve the language gap and to help bloom users of internet and computer technology. We whole-heartedly encourage you to participate in our program and deeply appreciate your comments, suggestion, and advices.

openmm.org openmm.org

OpenMM

A high performance toolkit for molecular simulation. Use it as a library, or as an application. We include extensive language bindings for Python, C, C , and even Fortran. The code is open source and actively maintained on Github, licensed under MIT and LGPL. Part of the Omnia. Suite of tools for predictive biomolecular simulation. Extreme Flexibility. Extreme Speed. Install using the conda. Python package manager that powers the Omnia ecosystem. Get started right away with OpenMM tutorials.

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OPENMMED

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OpenMMS

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OpenMMS Home Page

Corba and Relation Database Software. Please note that OpenMMS is no longer being supported by the RCSB PDB. However, OpenMMS can be discussed on the OpenMMS Users Group's web site. And developed OpenMMS software to exploit that standard. The National Partnership for Advanced Computational Infrastructure (NPACI) has helped support this development. The name of the "Full Release" OpenMMS distributions below identify both the Release Number. Of the distribution and the Model Name. SourceOnly.tar.gz...For t...