0 ×

Set PDB Name

Schrödinger Nodes for Suite2018-1 version 0.0.1.7B27VcMf4_L7A58S5A8G55JS 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)

Installation

To use this node in KNIME, install Schrödinger Nodes for Suite2018-1 from the following update site:

Drag me!
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.