SSTMap Solvation Structure and Thermodynamic Mapping

Installing SSTMap

SSTMap Installation

##Step 1: Install Anaconda

The main requirement for installation of SSTMap is the anaconda python distribution.

For instructions on how to download and install Anaconda, please go to Anaconda Download page.

Alternatively, the Anaconda installation can be also done with the following two commands.

For Linux-64

wget https://repo.continuum.io/archive/Anaconda3-2019.10-Linux-x86_64.sh
bash Anaconda3-2019.10-Linux-x86_64.sh

##Step 2: Create a virtual enviroment for SSTMap

The virtual enviornment can be created as follows:

conda create -n sstmap_py36 python=3.6
source activate sstmap_py36

##Step 3: Get the gitHub Source Code by git

You can get the source code by git clone ( provided git has been installed on your machine):

git clone https://github.com/KurtzmanLab/SSTMap.git

or you can also directly download the zip file by click the download botton on the webpage, then unzip it by:

unzip SSTMap-master.zip

##Step 4: Install the dependencies in case you do not have

conda install -c omnia mdtraj

In Centos:

 sudo yum install gsl-devel

In Ubuntu:

sudo apt-get install libgsl-dev  
ln path/to/libgsl.so path/to/libgsl.so.0

##Step 5: Install the compiler in case you do not have

In Centos:

sudo yum install g++

In Ubuntu:

sudo apt-get install g++

##Step 6: Install the SSTMap by wheel

if you get the souce code by git clone:

pip install ./SSTMap/devtools/wheel/sstmap-1.1.4-cp36-cp36m-linux_x86_64.whl

if you get the source code by clicking the download button:

pip install ./SSTmap-master/devtools/wheel/sstmap-1.1.4-cp36-cp36m-linux_x86_64.whl

##Step 7: You have installed SSTMap successfully if you can run these two commands in your terminal (within the sstmap_py37 virtual environment)

run_gist

or

run_hsa

If you have question regarding the installation of SSTMap, please contact us by eric.clyang521@gmail.com, we will be glad to help!