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Prime Energy Filter

DeprecatedDeprecated Nodes version by Schrödinger

Sorts and filters complexes according to Prime Energy.

Backend implementation

The script sort-filterCLI.py is used to implement this node.


Keep poses
Threshold on property for filtering poses. The syntax is as follows: n% - Keep the n% of poses with the lowest prime energy values n# - Keep the n poses with the lowest prime energy values n - Keep poses with prime energy values within n of the lowest value.

Input Ports

Complex structures in Maestro format

Output Ports

Sorted and filtered complex structures in Maestro format


Log output of sort-filterCLI.py
Log output of sort-filterCLI.py



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