Allow multiple xml inputs to serve as a docking starting point#276
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atillack wants to merge 2 commits intoccsb-scripps:developfrom
Open
Allow multiple xml inputs to serve as a docking starting point#276atillack wants to merge 2 commits intoccsb-scripps:developfrom
atillack wants to merge 2 commits intoccsb-scripps:developfrom
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This PR allows to use an AD-GPU result xml to serve as input to start a docking.
Currently, this is not complete (no parsing of the command line parameters in the xml) so if different parameters (i.e. number of runs, etc.) were used they will need to be set up again but it should serve as a good starting point.