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Add documentation for pyKVFinder tool and command in ChimeraX
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Find Cavities | ||
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The **pyKVFinder** package is integrated into `UCSF ChimeraX <https://www.cgl.ucsf.edu/chimerax/>`_ through a bundle, called **Find Cavities**. This bundle allows the user to run pyKVFinder in ChimeraX and visualize the results directly on the ChimeraX viewer. | ||
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Tool | ||
==== | ||
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The **Find Cavities** tool is available in ChimeraX starting from version 1.9. It can be accessed from: | ||
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* ``Tools`` > ``Binding Analysis`` > ``Find Cavities`` | ||
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or, | ||
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* ``Tools`` > ``Structure Analysis`` > ``Find Cavities`` | ||
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For further details on Find Cavities tool, please refer to https://www.cgl.ucsf.edu/chimerax/docs/user/tools/findcavities.html. | ||
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Command | ||
======= | ||
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The Find Cavities tool uses the **kvfinder** command. The command can be used in the ChimeraX command line interface (CLI) as follows: | ||
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.. code-block:: | ||
kvfinder model-spec [ probeIn r1 ] [ probeOut r2 ] [ removalDistance d ] [ volumeCutoff minvol ] [ gridSpacing s ] [ showTool true | false ] [ surfaceType SAS | SES ] [ boxOrigin x,y,z ] [ boxExtent length | lx,ly,lz ] | ||
For further details on kvfinder command, please refer to https://www.cgl.ucsf.edu/chimerax/docs/user/commands/kvfinder.html. |
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