This repository contains the VSpipe v1.0 software, which can be downloaded from the releases section, a pipeline to carry out virtual screenings.
Currently, VSpipe runs in Mac OS X, the Windows Linux Subsystem, and Linux distributions (we have only tested VSpipe in Ubuntu, but it should work in any other Linux distribution).
Please, download the VSpipe.tar.gz file and follow the instructions to install the dependencies on which VSpipe relies:
- Linux users, please follow the instructions here.
- Mac OS X, please follow the instructions here.
- WLS users, please follow the instructions here.
For a quick start, follow the tutorial here.
More tutorials to come describing several options on how to carry out virtual screenings with VSpipe.
If you use VSpipe, please cite VSpipe, an Integrated Resource for Virtual Screening and Hit Selection: Applications to Protein Tyrosine Phospahatase Inhibition.
If you have any questions, please send them here and we will try to help you with any problem you might encounter when running VSpipe. Happy docking!!