Loading Previous Results

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.

_images/load_parameters_gui.png

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>