Automatized Docking Algorithm
- Linux OS
- Perl
- Python
Extract file vinaprocess-0.04.tgz
gunzip /Directory/of/the/vinaprocess/home/vinaprocess-0.04.tgz
tar -vxf /Directory/of/the/vinaprocess/home/vinaprocess-0.04.tar
set variable VINAPROCESS to the root of the extracted directory
export VINAPROCESS=/Directory/of/the/vinaprocess/home
$VINAPROCESS/vina-process.pl -r receptor.pdb -l ligand.pdb
In a directory with the ligand and receptor in pdb format file,
the program will create a directory of the format YYYYMMDDHHMM from the date.
Inside, you will obtain the resulting compound in format of "energy-receptor-lingand-X-Y-Z".
It's not obligatory to have the 2 files of compound inside the directory of work.
$VINAPROCESS/vina-process.pl -h
-r : Receptor file (pdb format)
-l : Ligand file (pdb format)
-c : Cores number (by default 1)
-h : help
- M. en MM. Nidia Beltrán Hernández 1
- M. en C. Jerome Verleyen 2
- Dr. Fidel Alejandro Sánchez Flores 2
- Dr. Heriberto Manuel Rivera 1
1 Laboratorio Biología de Sistemas y Medicina Translacional, Facultad de Nutrición-Universidad Autónoma del Estado de Morelos. 2 Unidad Universitaria de Secuenciación Masiva y Apoyo Bioinformático, Instituto de Biotecnología-Universidad Nacional Autónoma de México