Introduction

The Ligand Explorer (a.k.a LigPro) was designed for rapid inspections of protein-ligand interactions, such as hydrophilic interactions, hydrophobic interactions and the interactions with ordered H2O molecules. The development used MBT toolkit. This Ligand Explorer has been integrated into the reengineered RCSB Protein Data Bank(PDB). It can also be run as a standalone application on desktop to access local structure files and files on PDB's servers; we provide a one-click download from this web site. The program takes a standard Protein Data Bank file or a mmCIF structure file as input, dynamically generates the ligand list associated with the structure, automatically centers the view at the user-selected ligand and provides one-click inspections of different types of interactions. It can also be used to produce high quality images for publications.

The Installation section gives instructions on how to install the application, including system requirements for the installation. It also gives a list of tips on troubleshooting during the installation.

The Definitions section gives the details on the types of interactions you can examine through this program. If you would like to examine other type of interactions which are not currently provided by this program, we suggest you send your requests through Contact Us.

The User Guide section goes through the functionalities of this program step by step. You can also download the PDF format of the user guide.

The Ligand Explorer was designed and developed by Dr. Qing (Cindy) Zhang.