A Tk frontend to MD trajectories analysis program carma
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INSTALL.md
README.md

README.md

INSTALL

Make sure you follow the installation instructions.

Support

You can always submit your questions/bug reports etc. and receive mailing list support through this google group.

NAME

grcarma - GUI to molecular dynamics trajectories analysis program carma

SYNOPSIS

grcarma [ PSF FILE ] [ DCD FILE ]

grcarma.exe [ PSF FILE ] [ DCD FILE ]

DESCRIPTION

A paper describing the program in greater detail is available from JCC.

grcarma is a GUI to molecular dynamics trajectories analysis program carma. It is written in Perl and makes use of the Tk module for graphics. It is available for Linux, MACOSX and Windows, and requires the carma executable in the same folder ( or in the PATH ). As seen in the synopsis the program can be launched with a .psf / .dcd pair of files as arguments. Alternatively, the program can be run without any arguments and the user will be prompted to specify the files to use for the analyses, through a graphical interface.

Versions >= 0.2 directly interface with the programs GoodTuringMD and cluster5D.

AUTHOR

grcarma has been developed by Panagiotis Koukos, under the supervision of Prof. Nicholas M. Glykos at the Department of Molecular Biology and Genetics of Democritus University of Thrace.

LICENCE

Copyright (c) 2012 - 2017, Panagiotis I. Koukos

All rights reserved.

Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:

  1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
  2. Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.