This node runs Maestro command(s) by running Maestro, executing a script and writing its output.
Calculate the RMSD between structures
Preparation of proteins for use in calculations with other Schrödinger products.
1D/2D to 3D conversion
This node takes in structures in Maestro, Sdf and Mol2 formats and outputs the properties for the CTs, Atoms, and Bonds into three different output tables
Launch PyMOL
Set up and run Desmond molecular dynamics simulations.
Calculate molecular properties for a set of structures.
Read molecules in Maestro, SD, Mol2, SMILES, CIF or PDB format
pKa prediction
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