0 ×

Phase DB Creation

Schrödinger extension for KNIME Workbench version by Schrödinger

Creates a Phase 3D Database and conformations from a set of Molecules.

Backend implementation

An import task and revise task of phase_database are used in sequence to implement this node.


Column containing structure
Select column in the data input table containing the structures
Database path
Path and database name of the destination Phase DB. (i.e., /path_to_db/db_prefix[.phdb]).
Input contains multiple conformations per molecule
Flag indicating whether or not the supplied structure file contains multiple conformations per molecule. If checked, consecutive structures with identical titles and connectivities will be treated as conformations of a single molecule. If unchecked, each structure will be treated as a separate molecule.

Input Ports

Input data table containing molecules in Maestro format


Std output/error of Phase DB Creation
Std output/error of Phase DB Creation
Log output of Phase DB Creation
Log output of Phase DB Creation

Best Friends (Incoming)



To use this node in KNIME, install Schrödinger Extensions for KNIME from the following update site:


You don't know what to do with this link? Read our NodePit Product and Node Installation Guide that explains you in detail how to install nodes to your KNIME Analytics Platform.

Wait a sec! You want to explore and install nodes even faster? We highly recommend our NodePit for KNIME extension for your KNIME Analytics Platform. Browse NodePit from within KNIME, install nodes with just one click and share your workflows with NodePit Space.


You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.