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 package required by SSTMap

conda install -c omnia mdtraj numpy=1.17

##Step 5: We have tested gcc/g++=7. If you use Ubuntu20, you can use this link to swich to gcc/g++=7 compiler before heading to the next step.

##Step 6: Change to the SSTMap directory where the setup.py locates, and run the installation command:

python setup.py install 

##Step 7: Now you can go to the Ussage page to run a quick test of your instalation. Of note, you have to run the commands within the sstmap_py36 virtual environment

If you have question regarding the installation of SSTMap, feel free to contact us by simpleliquid@gmail.com. If you want to run GIST, we recommand you to install CPPTRAJ(https://github.com/Amber-MD/cpptraj), where GIST tool is well maintained.