TEN back to CoMoDo

TEN (Tools for Elastic Networks)

Two versions of the Elastic Network Model, the Gaussian Network Model (GNM) and the Anisotropic Network Model (ANM) are implemented.

If you are using any of the software connected to CoMoDo. please cite:

  • Silke A. Wieninger and G. Matthias Ullmann. CoMoDo: Identifying Dynamic Protein Domains Based on Covariances of Motion. J. Chem. Theory Comput. B, 11: 2841-2854, 2015
    [PDF File] [Supporting Informations]

Usage


The TEN package consists of three programs:
  • EValVecC: calculates eigenvalues and -vectors (normal modes)
  • NWAnalyzer: calculates covariances, correlations and theoretical B-factors
  • MovieGenerator: computes trajectories from normal modes
The User Guide can be found here.
The protein structure must be given in pqrm format.

Download


Download the file TEN.tar.gz

The program is available under the Gnu Affero Public License. The package includes

  • C++ code of EValVecC, NWAnalyzer and MovieGenerator
  • Makefile
  • Example files

Installation


TEN requires the following packages:
  • BOOST C++ Libraries (boost_1_56_0)
    doesn't have to be build, just download and unpack
  • LAPACK Linear Algebra PACKage (lapack-3.5.0)
    some hints for the installation:
    cp INSTALL/make.inc.gfortran make.inc
    changes to make.inc: flag -fPIC: create position independent code needed for shared libraries
    OPTS -02 -frecursive -fPIC
    NOOPT -02 -frecursive -fPIC
    BLASLIB=../../libblas.a
    cd BLAS/SRC
    make
    cd ../../
    make
    make install
  • LAPACK++ (lapackpp-2.5.4)
    ./configure --prefix=$PATH/lapackpp-2.5.4 --with-blas=$PATH/lapack-3.5.0/libblas.a --with-lapack=$PATH/lapack-3.5.0/liblapack.a (--enable-static=yes) --enable-atlas=no
    make
    make install
Ubuntu, Debian and other distribution packagers supply Boost and Lapack library packages.

Installation of TEN:
  1. Download the file TEN.tar.gz
  2. Type tar -jxf TEN.tar.gz
  3. Go to the directory TEN: cd TEN
  4. Change the settings in Makefile.rules, esp. the library paths
  5. Type make
To execute TEN you need to set the environment variable LD_LIBRARY_PATH :
  • in sh: export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$PATH/lapackpp-2.5.4/lib
  • in csh: setenv LD_LIBRARY_PATH $LD_LIBRARY_PATH:$PATH/lapackpp-2.5.4/lib

Other ENM programs



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