0 ×

Set PDB Name

Schrödinger extension for KNIME Workbench version 21.1.156.202102141445 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

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.

Developers

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.