[Dock-fans] Can I evaluate scores of bounded conformations without changing coordiates?

"이주용" nicole23 at naver.com
Tue Jul 19 23:05:05 PDT 2005


















Hello dock-fans!
  I told you yesterday 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 
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