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 :

All the links below refer to original codes developed by JN.


Download

Some sources available upon request (jorge.navaza@ibs.fr)

Molecular Replacement :

  • LINUX :

        AMoRe-32-gfortran.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 :

        EM , RMX , PDB models : em||rmn||pdb.tgz

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

  • LINUX :

        URO-64-gfortran.tgz

  • OSX :

        URO-64-ifort.tgz

  • Test Data :

        Icosahedral , Helical symmetries : ico||helix.tgz

EM Icosahedral Reconstruction :

  • LINUX :

        RIco-64-gfortran.tgz

  • OSX :

        RIco-64-ifort.tgz

  • Test Data :

        VP2 of IBDV : vp2.tgz , vp2.tif


Installation

  • tar -zxvf {name}.tgz

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

Requirements

  • FORTRAN compilers (gfortran , ifort)


Publications

  • 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, 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