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 http://campari.sourceforge.net.

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)

Project Activity

See All Activity >

License

GNU General Public License version 2.0 (GPLv2)

Follow CAMPARI

CAMPARI Web Site

Other Useful Business Software
SysAid multi-layered ITSM solution Icon
SysAid multi-layered ITSM solution

For organizations spanning all industries and sizes from SMBs to Fortune 500 corporations

SysAid is an ITSM, Service Desk and Help Desk software solution that integrates all of the essential IT tools into one product. Its rich set of features include a powerful Help Desk, IT Asset Management, and other easy-to-use tools for analyzing and optimizing IT performance.
Rate This Project
Login To Rate This Project

User Ratings

★★★★★
★★★★
★★★
★★
3
0
0
0
0
ease 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 4 / 5
features 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 4 / 5
design 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 4 / 5
support 1 of 5 2 of 5 3 of 5 4 of 5 5 of 5 4 / 5

User Reviews

  • I just joined the project and I think it is one of the best tools available.
  • wondeful software
  • very useful in molecular simulation (IDPs)
Read more reviews >

Additional Project Details

Languages

English

Intended Audience

Science/Research

User Interface

Console/Terminal

Programming Language

Fortran

Related Categories

Fortran Molecular Science Software, Fortran Physics Software, Fortran Molecular Mechanics Software

Registered

2009-06-03