diff --git a/README.md b/README.md index 63e3121321474dd432c2e8908669cf0ca2ee914e..ac99bfb1554cfc257cd325b24aa8e879171e7fba 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,32 @@ -iPPI-DB +# iPPI-DB project repository -Inhibitors of Protein-Protein Interaction Database +Refactoring and update of iPPIDB database + +### Description of the repository: + +- **ansible** + - ansible receipe to deploy ippidb web site and content automatically +- **ichem_module** + - module for IChem private tool. + INFO: to use IChem on TARS: + `#module load /pasteur/projets/policy01/IPPI-DB/sources/iPPIDB/ichem_module/5.2.8` +- **ippidb_backend** + - java codes a bit optimized and refactored by Hélenes Borges (a full refactoring is not mandatory but needed (can be done later) + (brainstorming and documentation available at https://docs.google.com/presentation/d/1-HZZiRmEtipNkKLxKpmAhNHmuBbsjCQ7jmcTdgmf88g/edit?usp=sharing) +- **ippidb_binaries** + - binaries used for the ippidb website backend calculations + - the galaxy subdirectory contains Galaxy XML for galaxy-dev.web.pasteur.fr instance + - the lib_lib subdirectory contains the jar dependancies for the Java Chemaxon based program (sources are in ippidb_backend dir) +- **ippidb_files** + - files mandatory for the binaries execution: + - the Chemaxon licenses (update here and with the same name of the license is updated in 2018) +- **ippidb_module** + - module for Chemaxon based private tools. + INFO: to use Chemaxon tools on TARS: + `#module load /pasteur/projets/policy01/IPPI-DB/sources/iPPIDB/ippidb_module/0.1` +- **ippidb_targetbased_binaries** + - python scripts for the tarbased based ippidb approach + - galaxy directory with the XMLs for the python scripts + gromacs protonation tools + IChem Volsite XML (not fonctional yet) +- **ippisite** (HM, and RT don't hesitate to fill this description) + - django web interface for ippidb + - front-end web interface