AMBER 15 – Assisted Model Building with Energy Refinement

AMBER 15

:: DESCRIPTION

AMBER (Assisted Model Building with Energy Refinement) refers to two things: a set of molecular mechanical force fields for the simulation of biomolecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.

::DEVELOPER

AMBER Team

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux /  MacOsX / Window with Cygwin
  • Fortran 95, C and C++ compilers.

:: DOWNLOAD

AMBER

:: MORE INFORMATION

Citation

D.A. Case, T.E. Cheatham, III, T. Darden, H. Gohlke, R. Luo, K.M. Merz, Jr., A. Onufriev, C. Simmerling, B. Wang and R. Woods. The Amber biomolecular simulation programsJ. Computat. Chem.26, 1668-1688 (2005).

ARP/wARP 7.5 – Crystallographic Macromolecular Model Building

ARP/wARP 7.5

:: DESCRIPTION

the ARP/wARP software suite provides a ‘pipeline’ which unifies model building with model refinement. The electron-density map is parameterized with a set of representative ‘free’ atoms. After initial model building, once a fraction of these atoms acquires a chemical identity the ‘hybrid’ model (consisting of free atoms and atoms with known stereochemistry) is iteratively refined and edited, taking advantage of the improved electron-density maps produced by refinement

::DEVELOPER

ARP/wARP team

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / MacOsX

:: DOWNLOAD

 ARP/wARP

:: MORE INFORMATION

Citation:

Cohen, S.X., Jelloul M.B., Long, F., Vagin, A., Knipscheer, P., Lebbink, J., Sixma, T.K., Lamzin, V.S., Murshudov, G.N. & Perrakis, A. (2008)
ARP/wARP and molecular replacement: the next generation,
Acta Cryst. D64, 49-60