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Set PDB Name

Schrödinger extension for KNIME Workbench version 20.4.144.202011110821 by Schrödinger

This node uses MacroModel substructure definitions to set PDB atom and residue names for a structure. Note that as part of the assignment hydrogens are added to the structure since they are required for assigning PDB names.

Backend implementation

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

Input Ports

: Proteins in Maestro format

Output Ports

: Proteins in Maestro format (with PDB names assigned)

Best Friends (Incoming)

Get PDB (33 %)
MAE-to-Pdb (22 %)
PDB Saver (22 %) Streamable
Molecule-to-MAE (11 %)
PDB Reader (11 %)

Installation

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

KNIME 4.3

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Developers

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