Phase DB Creation

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

Output Ports

This node has no output ports


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




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