Hello Leonidas-- > > Thank you for the reply!! > I will definetly try this docking script, but i was wondering if there would > be a > way to do proper complex structure calculation based on what i have. Would > that > make sense? >
Are you asking if you can do docking with a refinement protocol, I would not suggest that- the resulting structures will likely look similar- all stuck in the same incorrect minimum. Please use a docking-specific script to start with. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
