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Command: viewdockx

viewdockx [[ model-spec ] name ]

viewdockx downname ]

viewdockx upname ]

The ViewDockx tool allows users to click through a list of docked compounds or different poses of the same compound to view them individually in the context of a binding site.

By default (open command with showTool true), opening a file of docking results will automatically start the ViewDockX tool. Alternatively, one or more such files can be opened with showTool false, and subsequently (in a separate step) the tool can be started from the Tools menu or by using the command:

viewdockxname  name ]
– or –
viewdockx  docked-compound-models [ name ]

...the latter to limit the table to only a subset of the docked compound models currently open. A name for the ViewDockx instance can be supplied to allow addressing it specifically when multiple different instances will be open at the same time. If no name is given, one will still be assigned automatically and shown in parentheses in the title bar of the ViewDockX table.

ViewDockx H-bond and clash calculations are not recommended when multiple instances of the tool coexist unless the different ligand/receptor systems are spatially separated.

When the ViewDockx table has the mouse focus and a single compound is shown (it may be necessary to click on the row for that compound after interacting with other windows), pressing the keyboard down (up) arrow key hides the compound and shows the next (previous) compound in the list. The next docked mouse mode or commands viewdockx down and viewdockx up can be used to do the same thing. If multiple compounds are shown, the entire set of shown compounds shifts one position in the list for each use of the down (up) arrow key or equivalent command.

UCSF Resource for Biocomputing, Visualization, and Informatics / August 2023