Tag: Molecular Replacement

BALBES 1.1.5 – Molecular Replacement

BALBES 1.1.5

:: DESCRIPTION

BALBES is a system for solving protein structures using x-ray crystallographic data. Molecular Replacement(MR) is its core scientific method. BALBES aims to integrate all components, necessary for finding a solution structure by MR, into one system. It consists of a database, scientific programs and a python pipeline. The system is automated so that it needs no user’s intervention when running complicated combination of jobs such as model searching, molecular replacement and refinement.

:: DEVELOPER

Computational Crystallography Group

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

 BALBES

:: MORE INFORMATION

Citation:

F.Long, A.Vagin, P.Young and G.N.Murshudov
“BALBES: a Molecular Replacement Pipeline ”
Acta Cryst. D64 125-132(2008)

MrBUMP 0.4.4 – Automated Molecular Replacement

MrBUMP 0.4.4

:: DESCRIPTION

Mr Bump is an automated scheme for Molecular Replacement. Given a target sequence and experimental structure factors, it will search for homologous structures, create a set of suitable search models from the template structures, do molecular replacement, and test the solutions with some rounds of restrained refinement.

:: DEVELOPER

Ronan Keegan and Martyn Winn

:: SCREENSHOTS

:: REQUIREMENTS

  • Linux / Mac OsX/Windows
  • Tcl/Tk
  • BLT
  • ccp4
  • multiple alignment program

:: DOWNLOAD

  MrBUMP

:: MORE INFORMATION

Citation:

MrBUMP: an automated pipeline for molecular replacement.
Keegan RM, Winn MD.
Acta Crystallogr D Biol Crystallogr. 2008 Jan;64(Pt 1):119-24. Epub 2007 Dec 5.