LigthDock (on Ubuntu, my laptop) ======================================================== https://server.lightdock.org/ (web server - works with small files only) (download) url = https://lightdock.org/ I downloaded: lightdock-0.9.4.tar.gz tar xzvf lightdock-0.9.4.tar.gz cd lightdock-0.9.4 (read) READ.md (for installation instructions)sudo pip install lightdock (that compiled all dependencies) (to test use): Simple protein-protein docking example https://lightdock.org/tutorials/0.9.3/simple_docking on IJCluster xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx https://numdifftools.readthedocs.io/en/stable/how-to/create_virtual_env_with_conda.html --------------------------------------------------------------------------------------- How to create virtual environments for python with conda conda info --envs # # list enviroments conda remove -n yourenvname -all # delete virtual env conda info # the first line is the currently active env # create environment conda -V # version conda update conda # update to the latest conda search "^python$" # to see the list of available python versions conda create -n yourenvname python=x.x anaconda # template conda create -n ligthdock python=3.10.12 anaconda # the command I used https://lightdock.org/tutorials/0.9.3/simple_docking # to run test conda activate ligthdock python --version # Python 3.10.12 pip --version # pip --version pip install lightdock pip install FuzzyTM pip install gensim conda deactivate -- end of LightDock on IJCluster --------------------------------------