Dear Prof. Case,
Thanks very much for your time on my questions. Your e-mail reminds me
about the file format, and right now I know what I am going to do.
Seperate the ligand into three fragments, one is the small molecule, and
the other two are the amino acids. load all the three fragments into the
xleap, and then edit and merge them. That is what I can think of. I will
try that tomorrow when I am back to my office. Do you have some better
idea? Thanks very much!
Best Regards,
Qinghua
Ph.D. student
Juelich Research Center
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Received on Thu Nov 10 2011 - 11:30:03 PST
