Overview
The Retrieve MMC Results tab is used to access the results of previously performed MMC simulations. This tab enables users to refine and analyze the MMC-generated structures, sub-selecting representative structures from the larger pool.
Fields in the Retrieve MMC Results Tab
Below the standard Project Name, Description, and Downloads fields (as seen in the Run MMC tab), the following fields and a switch are available:
- Stride: Enter the number of structures to skip, starting from the structure defined in the Offset field. Default value: 10.
- Offset: Defines the starting structure for applying the stride. Default value: 1.
- Extract Frames Switch: Leave this switch off during initial testing of the stride and offset values.
Steps to Process MMC Results
- Configure Stride and Offset: Set the desired stride and offset values in their respective fields.
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Test Stride and Offset: Press Process to apply the stride and offset values. The results will be displayed in two graphs:
- Left Graph: Shows the histogram of Rg values, helping to verify that the sub-selected frames represent the overall distribution of Rg values in the complete MMC-generated pool.
- Right Graph: Plots the Rg values as a function of frame number.
- Refine Sub-Selection: Adjust stride and offset values to achieve satisfactory agreement between the sub-selected frames and the overall distribution.
Sub-Selection and Extraction
Once a satisfactory agreement is reached:
- Turn on the Extract Frames switch.
- Press Process to extract the sub-selected structures from the large MMC-generated pool. This is a time-intensive process monitored by a progress bar.
Outputs and Statistics
At the bottom of the tab, the statistics of the MMC run are reported. These include:
- Number of structures generated during the MMC run.
- Number of structures accepted based on the selection criteria.
- Details of the extracted structures for further analysis.