CAMPARI



Publisher Description



We are proud to introduce version 4 of CAMPARI. Maintaining the philosophy introduced with V3 to speed up (almost) everything with the help of OpenMP (threads parallelism), we have added a number of new algorithms from the recent literature, most notably an entire module dealing with small molecules of arbitrary chemistry for applications in computational docking and drug design. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model.

CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at .
Features
  • Combined MC and MD sampling, MD in Cartesian or torsional / rigid-body space
  • Efficient OpenMP parallelization of all core energy/force routines
  • On-the-fly analysis or execution as a trajectory analysis tool (also in parallel)
  • Many built-in analysis routines (DSSP, contact maps, pair correlation functions, etc.)
  • Support for several structural clustering and related algorithms along with Markov state model analyses
  • Stand-alone analysis facility for the clustering/Markov state model facilities
  • Fully documented (html) and in addition shipped with 16 tutorials
  • Very high level of control over nearly all supported features
  • Wide support for parallel multi-replica simulation techniques like replica exchange in hybrid MPI/OpenMP parallel execution
  • Support for small molecule screening applications with partially automatic parameterization
  • Support for many bias potentials (distances, positions, torsions, secondary structure, spatial densities, compartmentalization, polymeric properties)


About CAMPARI

CAMPARI is a free software published in the Teaching & Training Tools list of programs, part of Education.

This Teaching & Training Tools program is available in English. It was last updated on 19 March, 2024. CAMPARI is compatible with the following operating systems: Linux, Mac, Windows.

The company that develops CAMPARI is gilthe. The latest version released by its developer is 1.0. This version was rated by 1 users of our site and has an average rating of 3.0.

The download we have available for CAMPARI has a file size of 17.03 MB. Just click the green Download button above to start the downloading process. The program is listed on our website since 2020-12-30 and was downloaded 88 times. We have already checked if the download link is safe, however for your own protection we recommend that you scan the downloaded software with your antivirus. Your antivirus may detect the CAMPARI as malware if the download link is broken.

How to install CAMPARI on your Windows device:

  • Click on the Download button on our website. This will start the download from the website of the developer.
  • Once the CAMPARI is downloaded click on it to start the setup process (assuming you are on a desktop computer).
  • When the installation is finished you should be able to see and run the program.



RELATED PROGRAMS
Our Recommendations






BarCode2D-PNG


Click stars to rate this APP!

Users Rating:  
  3.0/5     1
Downloads: 88
Updated At: 2024-03-19
Publisher: gilthe
Operating System: Linux, Mac, Windows
License Type: Free