Pipeline for the search of homologues and molecular modeling for each peptide as well as the molecular docking between the peptides and the RBD receptor (PDB: 6LZG) of SARS-CoV-2.
By Lucas Palmeira: CNPq Technological Initiation Scholarship | Data Scientist in Training
By William Sena: CNPq Technological Initiation Scholarship | Python Developer
GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007
Clone this repository:
git clone -b docker git@github.com:WilliamJSS/biopep.gitNavigate to project folder:
cd biopepCopy .env file and add the Modeller KEY:
cp .env.example .envUp containers:
docker compose up -dAccess BioPep container shell:
docker exec -it biopep bashActivate conda environment:
eval "$(conda shell.bash hook)" && conda activate biopep-envExecute BioPep:
python main.py query.fasta tasknamequery.fasta: file with peptides for submit
taskname: title to your task, for save in output folder
Lucas Sousa Palmeira, & William Sena. (2021). BioPep. Zenodo. https://doi.org/10.5281/zenodo.5781778
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