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Schrödinger

This category contains 206 nodes.

Neutralizer Deprecated

Neutralizes functional groups where possible by adding or removing protons.

Prime Energy Filter Deprecated

Sorts and filters complexes according to Prime Energy.

Prime Refinement Deprecated

The Induced Fit predict sidechains within a distance around the ligand.

Protein Preparation Constrained Refinement Deprecated

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

Protein Preparation Wizard Deprecated

Preparation of proteins for use in calculations with other Schrödinger products.

Row Iterator Loop Start (deprecated) Deprecated

Iterates over an input data table, whereby each row is passed into the body of the loop.

RRHO Entropy Deprecated

Rigid Rotor Harmonic Oscillator (RRHO)

Run Canvas Deprecated

Launch Canvas

SD Reader Deprecated

Read molecules in SD format

Shape Screening Deprecated

Screens a list of molecules against a shape query. Each conformer from a given molecule is aligned to the query in various ways, and a similarity is […]