[Dock-fans] Can I score bounded conformation of protein and ligand
without changing coordinates?
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
drfaust23 at gmail.com // nicole23 at naver.com
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