The CaPTURE program can identify energetically significant cation-pi interactions within proteins in the Protein Data Bank (PDB). To use the program, simply enter the four character PDB ID code for your protein into the box below and press the GO button. Alternatively, you may upload a PDB file from your own computer by using the browse option at the bottom of the page. A report of the cation-pi interactions in the protein will appear on the screen, usually within seconds. The criteria used to find the interactions and a description of the program can be found in:
Cation-pi Interactions in Structural Biology, J.P. Gallivan and D.A. Dougherty, Proceedings of the National Academy of Sciences, USA, 1999, 96, 9459.
If you have questions, or experience problems, please email .
The CaPTURE program is written by Justin Gallivan. The web-based front end is written by Isaac See.
(Example: for acetylcholinesterase, enter 2ACE).
Method 2: Upload a file in pdb format from your computer