Sample data/results

In order to succesfully test our software we encourage you to download the sample data and configuration file (required to start the analysis) available below. The data comes form a 1ns MD simulation of the murine soluable epoxide hydrolase structure (PDB ID: 1CQZ).

sample data (326 MB)

configuration file (1KB)

We also provide you with the set of sample results (coming from 1ns and 10ns simulation of the murine soluable epoxide hydrolase structure (PDB ID: 1CQZ)).

sample results 1ns (4 MB)

sample results 10ns (56 MB)

You can also download a PyMol session to view the results.

default session (14 MB)

Tutorials

The tutorials are also available as PDF files here:

  1. CLUSTERIZATION
  2. TRIMMING PATHS

Media

Official AQUA-DUCT wallpaper:

 

 

 

 

Movies: