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Protein Preparation Constrained Refinement

DeprecatedDeprecated Nodes version by Schrödinger

The Protein Refinement does a constrained minimization of the protein. Its main purpose is to relax the hydrogens.

Backend implementation

The script pprepCLI.py is used to implement this node.


RMSD value
This value specifies the convergence threshold for the constrained minimization of the Glide protein preparation. The minimization ends when the RMSD is less than or equal to value.

Input Ports

Protein Structure in Maestro format

Output Ports

Minimized Protein Structure in Maestro format


Log output of pprepCLI.py
Log output of pprepCLI.py


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