Rotamer Interaction Field

master

devel

tell [email protected] to put something in this readme!

http://rif.readthedocs.io

INSTALL

universal

pip install -rrequirements.txt python tools/build_and_test.py

or

pip install . python3 -mpytest --pyargs rif

or

pip install -rrequirements.txt mkdir build && cd build CXXFLAGS=-Ipath-to-site-packages/numpy/core/include cmake .. PYTHONPATH=. python3 -mpytest --pyargs rif

crappy details

python requirements numpy, jinja2, pytest, pytest-cpp*, hypothesis, pandas

*use the pytest_cpp in external: "cd <rifdir>/external/hacked_packages/pytest-cpp-0.4 && pip install ."

for graphics requirements pymol + pip packages: PyOpenGL OpenGLContext PyVRML97 pydispatcher

SUBLIME SETUP

I use sublime plugins Anaconda, EasyClangComplete, Git, C++11, GitGutter, SublimeLinter

NOTES

iff you have pyrosetta4 on your path, functions using pyrosetta will be used/tested iff you have pymol on your path, functions using pymol will be used/tested

docs

install doxygen (--with-libclang probably best...) pip3 install sphinx_rtd_theme breathe

ubuntu 16.04

# better to use a virtualenv, no sudo # this ppa is to install gcc-6 sudo add-apt-repository ppa:ubuntu-toolchain-r/test # optional, for gcc6 sudo apt update sudo sudo apt install git git clone [email protected]:willsheffler/rif.git sudo apt-get install python-pip python3-pip cmake ninja-build clang g++-6 libboost-system-dev libboost-iostreams-dev sudo apt-get install clang g++-6 # optional

mac (tested on 10.10 and 10.12)

brew install python cmake ninja boost