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THESEUS: Maximum likelihood superpositioning of multiple 
         macromolecular structures

-/_|:|_|_\- 
Douglas L. Theobald
Department of Biochemistry
Brandeis University
Waltham, MA  02454 

dtheobald@brandeis.edu
dtheobald@gmail.com

Copyright (c) 2004-2015 Douglas L. Theobald

  THESEUS is free software; you can redistribute it and/or modify
  it under the terms of the GNU General Public License as published
  by the Free Software Foundation; either version 2 of the License,
  or (at your option) any later version.

  THESEUS is distributed in the hope that it will be useful, but
  WITHOUT ANY WARRANTY; without even the implied warranty of
  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
  General Public License for more details.

  You should have received a copy of the GNU General Public License
  along with THESEUS in the file 'COPYING'; if not, write to the:

  Free Software Foundation, Inc.,
  59 Temple Place, Suite 330,
  Boston, MA  02111-1307  USA

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INSTALLATION INSTRUCTIONS:

Preliminaries:

THESEUS should compile with any C compiler that supports C99 (most).
However, I recommend the open source GNU gcc compiler, as that is what I
use for development, and in my experience it optimizes THESEUS better
than other compilers (including Intel's icc, which also has other
problems).

THESEUS requires the GSL library. Before compiling,
you must verify that you have it installed on your machine. 
THESEUS no longer requires the LAPACK and BLAS libraries.
The source code is freely available, and easy to compile:

http://www.gnu.org/software/gsl/

Compilation:

1) Edit the make.inc by uncommenting the appropriate sections
   for your system. The main hurdle to overcome in compiling
   THESEUS is in making sure that the compiler can find your 
   GPL library. 

2) Edit the makefile install directory to your directory of choice.

3) Issue the following command:

    make && make install

If you have problems, please verify that you are telling the compiler
where to find your GSL library. If so, and you still
have problems, I will be happy to help out with compiling issues:

Douglas Theobald
dtheobald@brandeis.edu
dtheobald@gmail.com

Once you have a binary, for help with the program simply type
'theseus' or 'theseus -h'.


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