Add an optional ligand chain index to run_on_chains and calc_DockQ. #67
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This change allows those who use the DockQ code as a library to calculate dockq scores to override the default ligand/receptor assignment behaviour. This is useful if these roles are defined a priori.
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This change allows those who use the DockQ code as a library to calculate dockq scores to override the default ligand/receptor assignment behaviour. This is useful if these roles are defined a priori.