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MOE® interfaces

FlexX/LeadIT in MOE®

Chemical Computing group and BioSolveIT developed in close collaboration an interface that allows you to launch FlexX calculations from within MOE®. Exploit MOE® wealth of modeling functionality together with our world renown FlexX docking engine in a most convenient way.

To make this work, simpy download and install LeadIT. Then

download

and unzip two patch files to the MOE® directory tree into the folder

<your MOE installation>/lib/svl/patch

(on windows use backslashes).

Note that you will need a separate MOE®-license from Chemical Computing Group, as well as a FlexX license which can be obtained here.