[Dock-fans] Can I score bounded conformation of protein and ligand without changing coordinates?

juyong Lee drfaust23 at gmail.com
Tue Jul 19 22:58:03 PDT 2005


 I told you that I got very strange energy scores from my virtual
ligand and protein.

 So, I want to test if it is some kind of bug while calculating the
scores. I think it would be helpful to just evaluate the score without
changing coorinates of ligand and protein. I tried to do it myself but
I'm not familiar with C++ so I couldn't fully understand your codes.
:-(

 I'm wondering that whether I can do it by setting some parameters. 

 I'll be very pleased with your kind responses! 

===============================
Graduate student in Seoul National University, Korea
Computaional biology Laboratory
Lee, juyong
drfaust23 at gmail.com // nicole23 at naver.com



More information about the Dock-fans mailing list