ADL: Reading all the DLGs

Pandey, Jaya JPandey at chla.usc.edu
Sun Sep 19 19:44:39 PDT 2004


Dear All,

I am having reading a docked library and it's confromations using the ADT
tool. Although I am trying to follow the manual, can someone give me extra
tips:

1. Using NCI diversity set not all the ligands are docking to the
target.Some of the ligands show 0 docked confromations. I assume that not
necessarily all the ligands will dock to the target. Is there any other
reason for it, please let me know.

2. How to make a HISTOGRAM (comprehensive one) that can show all the results
and one is able to pick up the lowest energy conformations of a particular
ligands. Please let me know a way to it. Unfortunately the manual help is
not working for me.

Thanks

Jaya 




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