evansenter / hermes

All your kinetics are belong to us.

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hermes

All your kinetics are belong to us.

Name                    Role
--------                ----
FFTbor2D                (2D energy landscape parameterized by bp. distance from two input structures for given sequence)
RNAmfpt                 (Mean first passage time [hitting time] for input matrix in CSV (i, j, x) format)
RNAeq                   (Population proportion and equilibrium for suboptimal structures of given RNA using spectral decomposition)
FFTmfpt                 ([--fftbor2d --mfpt] Approximate mean first passage time [hitting time] using 2D energy landscape from FFTbor2D)
FFTeq                   ([--fftbor2d --mfpt --population] Approximate population proportion and equilibrium using 2D energy landscape from FFTbor2D)
RateEq                  ([--mfpt --population] Population proportion and equilibrium using row-ordered rate matrix in CSV (i, j, x) format)

Dependencies:

  • CMake >= 2.6-patch 4, tested through 3.0.0
  • GNU99 compiler, developed with gcc-4.9
  • C++98 compiler supporting OpenMP, developed with g++-4.9
  • GSL <= 1.15, tested through 1.16
  • FFTW3 >= 3.3.3, tested through 3.3.4
  • libRNA.a >= 2.0.7, tested through 2.1.7

Installation:

cd build && cmake .. && make

Useful CMake configuration flags:

-DCMAKE_C_COMPILER=/path/to/c/compiler
-DCMAKE_CXX_COMPILER=/path/to/c++/compiler
-DCMAKE_INCLUDE_PATH=~/additional/headers
-DCMAKE_LIBRARY_PATH="~/additional/libraries;/separated/by/semicolons;/and/quoted"
-DCMAKE_INSTALL_PREFIX=/make/install/path/prefix

Note--this project uses the following commands to maintain homogenous styling:

astyle --style=google --indent=spaces=2 --indent-switches --indent-cases --indent-namespaces --indent-labels --indent-col1-comments --break-blocks --pad-oper --pad-header --unpad-paren --fill-empty-lines --align-pointer=type --add-brackets --convert-tabs --recursive *.cpp *.c *.h

About

All your kinetics are belong to us.

License:MIT License


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Language:C 72.7%Language:C++ 21.0%Language:CMake 4.7%Language:Objective-C 0.9%Language:Shell 0.7%