Softwares

Suites of programs for molecular replacement, EM icosahedral reconstructions, fitting of atomic models into EM maps and other utilities of MX and EM

Developer :  Jorge Navaza

Overview :

Download

Molecular Replacement :

• LINUX :

        AMoRe-32-gfortran.tgz

        AMoRe-32-gfortran-static.tgz

        AMoRe-32-ifort.tgz

        AMoRe-64-gfortran.tgz

        AMoRe-64-gfortran_static.tgz

• OSX :

        AMoRe-32-gfortran.tgz

        AMoRe-64-gfortran.tgz

        AMoRe-64-ifort.tgz

• Test Data :

Fitting of (MX) models into (EM) maps :

• LINUX :

        URO-64-gfortran.tgz

• OSX :

        URO-64-ifort.tgz

• Test Data :

EM Icosahedral Reconstruction :

• LINUX :

        RIco-32-gfortran.tgz

        RIco-32-gfortran-static.tgz

        RIco-64-gfortran.tgz

        RIco-64-gfortran-static.tgz

• OSX :

        RIco-64-gfortran.tgz

• Test Data :

Superposition of maps, coordinates, and averaging :

• LINUX :

        super-32-gfortran.tgz

        super-32-gfortran-static.tgz

        super-64-gfortran.tgz

        super-64-gfortran-static.tgz

• Test Data :

Installation

• tar -zxvf {name}.tgz

• source (or include into your .login) the login file

Requirements

• FORTRAN compilers (gfortran , ifort)

Publications

• L.F. Estrozi & J. Navaza : "Ab initio high-resolution single-particle 3D reconstructions: the Symmetry-Adapted-Functions way.", J. Struct. Biol. (2010). 172/3, 253-260.

• L.F. Estrozi & J. Navaza : "Fast Projection Matching for Cryo-electron Microscopy Image Reconstruction.", J. Struct. Biol. (2008). 162/2, 324-334

• J. Navaza : "Combining X-ray and Electron-Microscopy data to solve crystal structures.", Acta Cryst. (2008). D64, 70-75

• S. Trapani & J. Navaza : "Calculation of spherical harmonics and Wigner d functions by FFT. Applications to fast rotational matching in molecular replacement and implementation into AMoRe.", Acta Cryst. (2006). A62, 262-269

• J. Navaza : "On the three-dimensional reconstruction of icosahedral particles.", J. Struct. Biol. (2003). 144, 13-23

• J. Navaza, J. Lepault, F. Rey, C. Alvarez-Rua & J. Borge : "On the fitting of model electron densities into EM reconstructions: a reciprocal space formulation.", Acta Cryst. (2002). D58, 1820-1825

• J. Navaza : "On the Computation of Structure Factors by FFT Techniques", Acta Cryst. (2002). A58, 568-573

• J. Navaza : "Implementation of Molecular Replacement in AMoRe", Acta Cryst. (2001). D57, 1367-1372

• J. Navaza, E.H. Panepucci & C. Martin : "On the Use of Strong Patterson Function Signals in Many-Body Molecular Replacement", Acta Cryst. (1998). D54, 817-821

• J. Navaza : "AMoRe: an Automated Package for Molecular Replacement", Acta Cryst. (1994). A50, 157-163