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PyMOL cannot load custom CGO objects back into sessions correctly, so any PyMOL session containing PyVOL surfaces will have issues. PyMOL log files can be used but can take a while to run on slower computers.


GUI section that loads previous calculations into PyMOL for visualization with parameter mapping: Pocket Directory → data_dir and Display Prefix → prefix

The PyMOL load_pocket command allows previous results to be read back in from file and displayed. A display prefix and display options (previously described Display Options) can be provided to overwrite configuration file values. load_pocket requires the directory holding the data from a previous calculation as its first parameter. This corresponds to the output_dir for new calculations and by default ends in ‘.pyvol’. If a data file is instead provided, PyVOL instead processes the encompassing directory.

load_pocket <directory>