http://www.adrianomartinelli.it/Fondamenti/Tutorial_0.pdf

Thank you Martiniano Bello, but the tutorial does not answer my question. It shows how to use Discovery Studio for the visualization of a protein. But it doesn't tell the default parameters used to calculate protein-ligand interactions or even how to change them. Please correct me, if I'm wrong

Hi,

In Discovery Studio go to Help-->Help Topics and type Non-bond Interactions. You will have your answers

Thank you Prasannavenkatesh Durai. I got my answer, but it wasn't easy.

I will write down the solution to my problem, just in case anybody else is looking for it.

So, one way to find the default interaction criteria is go to Structure -> Monitor -> Ineraction Options -> Advanced... (in the middle at the bottom of the new window)

Now one can just look up all the parameters, like H-bond maximal distance etc, and even change them.

Another way is to get a list of all the default interaction criteria. For this, there is a script that can be found in Help -> Help Topics -> Working with Scripts -> DiscoveryScript API -> Datatypes -> enum Mdm::NonbondCriterionType datatype. (the script also changes the hydrogen bond distance. Better delete that part before running the script) To use the script one has to go to File -> New -> Script Window. Delete the Example, copy the script from the Help Site into the script window and run the script. In the output one can see all the default ineraction criteria. A nice walkthrough on how to use a script can be found in Help -> Help Topics -> Tutorials -> Quick Start Tutorials -> Working with scripts.

I hope, my answer can help anybody who is looking for the same stuff i was looking for. If nobody will ever need this again, at least i got a solution to my problem :D

Great! As DS is a commercial software, DS tech support in your country can help you find answers too.

Friederike Leßmöllmann

I had the same question and your answer helped me a lot, thank you