Local Membrane Property Analysis

Vytautas Gapsys, Bert L. de Groot, Rodolfo Briones
Computational analysis of local membrane properties
Journal of Computer-Aided Molecular Design, 2013

The software allows calculation of the local membrane thickness, area per lipid, curvature and deuterium order parameters.
Supplementary perl scripts included in the .tar file can be used for the data file movie file generation (pdb2mat, mat2png, pdb and matrix file splitting, etc).

Download g_lomepro

The package contains:
  • source files
  • Makefile
  • static compilation

    To compile the software, Makefile needs to be modified by entering paths to the 1) Gromacs tools source folder; 2) Gromacs headers folder; 3) folder containing libgmx.a; 4) path to the fftw library; 5) path to the fftw headers folder

    Updates and bug fixes:
    27/02/2014 v1.0.2: Bug fixes: periodicity issue in the order parameter calculation, minor problem in the -mov_mat output for curvature, script split_mov_mat_CMD.pl does not discard the last frame.
    04/12/2013 v1.0.1: started version numbering. Bug fixes concerning standard deviation calculations.
    25/11/2013 Enabled -mov_mat output for curvature, added a script (split_mov_mat_CMD.pl) to split -mov_mat output by frames, modified Makefile
    29/10/2013 Makefile works with gmx_4.6
    28/10/2013 Enabled -unsat option, cleaned program description (-h option)

    Please note that the software is distributed with NO WARRANTY OF ANY KIND. The author is not responsible for any losses or damages suffered directly or indirectly from the use of the software. Use it at your own risk.

    Please send your bug reports, comments and suggestions to: vgapsys@gwdg.de.