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General Description


The BDT window has four execution tabs: (a) MakeGrids; (b) CombineGrids; (c) MakeDocks; and (d) Analyze. The tabs are sorted from left to right according to their sequence of use when executing jobs from BDT. This is because the program that runs under each tab needs some input files that result from executing the program under the previous tab. Users are therefore recommend to move to the next tap until BDT informs them by e-mail that the execution of the program under one specific tap is finished.

Four buttons are common to all tabs and have the same function: (a) "execute", which starts running the Fortran program under the tab; (b) "reset", which replaces custom parameter values with the default ones, and (c) "save", which stores the current tab parameter values in a file for later recovery with the "load" button. Each field is filled with default parameter values each time BDT starts.

Users also have to set in some tabs how the underlying program will communicate with them by e-mail by: (a) typing their e-mail address in the corresponding window; and (b) indicating the amount of information they want to receive from the program.

One more tab (i.e. Information) is also available for informative tasks. This provides the user with general information about the main goals of BDT and its compatibility with AutoGrid/AutoDock versions.

The "?" button allows the user to activate/de-activate the contextual help messages (where default corresponds to contextual help messages activated). The "exit" button allows the user to exit BDT properly (while the Fortran program runs in the background).

Caution messages are also displayed when completing certain important fields.