From bd5446784f89b377e40a4bc018428f22be8689a6 Mon Sep 17 00:00:00 2001
From: cmaffeo2 <cmaffeo2@illinois.edu>
Date: Thu, 5 Sep 2019 08:59:31 -0500
Subject: [PATCH] Update README.md

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 1 file changed, 51 insertions(+), 1 deletion(-)

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 # Multi-Resolution DNA simulations
+A Python3 package that makes it easy to run simulations of DNA nanostructures.
+The multi-resolution approach provides the benefits of coarse-grained modeling, 
+while resulting in a high-resolution structure suitable for atomistic simulations.
+Alternatively, the package can be used to initialize simulations using the oxDNA model.
 
-...
+## Dependencies
+* Linux operating system
+* g++ >= 4.8
+* [CUDA toolkit](https://developer.nvidia.com/cuda-toolkit) >= 6
+* [ARBD](http://bionano.physics.illinois.edu/arbd) simulation engine
+* Python >= 3.5 *(some users report problems installing mdanalysis; miniconda or conda are recommended)*
+  * numpy >= 1.14
+  * scipy >= 1.1
+  * mdanalysis >= 0.18 
+  * cadnano >= 2.5.2.1
+  * appdirs >= 1.4
+  * [oxDNA](https://dna.physics.ox.ac.uk/index.php/Main_Page) (optional)
+
+## Installation
+First make sure you have the cuda-toolkit installed.
+First download ARBD through a web browser.
+The following (untested) script can then be modified and used to install mrdna.
+Please report issues to [Chris Maffeo](mailto:cmaffeo2@illinois.edu).
+```bash
+
+# Customize the following
+BUILD_DIR=/path/to/build-dir
+export CUDA_PATH=/path/to/cuda-toolkit
+
+# Unpack and build arbd
+cd $BUILD_DIR
+mv ~/Downloads/arbd*.tar.gz .
+tar -xzf arbd*.tar.gz
+cd arbd/src
+make -j
+cd ../../
+
+# Setup python dependencies (you may want to set up a virtual environement)
+
+conda install numpy>=1.14 scipy>=1.1 appdirs >= 1.4
+conda install -c conda-forge mdanalysis>=0.18 
+pip install cadnano >= 2.5.2.1
+
+git clone https://gitlab.engr.illinois.edu/tbgl/tools/mrdna
+cd mrdna
+python setup.py install
+cd ..
+
+# Finally update your bashrc so that your shell can find the ARBD binary
+echo "PATH=$BUILD_DIR/arbd/src:\$PATH" >> ~/.bashrc
+source ~/.bashrc
+```
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