Hub
Pricing About
  • Software
  • Blog
  • Forum
  • Events
  • Documentation
  • About KNIME
  • KNIME Community Hub
  • Nodes
  • Export to LiveDesign
NodeNode / Sink

Export to LiveDesign

Schrödinger LiveDesign Import/Export
Drag & drop
Like
Copy short link

Export structures to LiveDesign
Requires Workflow Credentials or 'Credentials Input' Quick Form node with name: ld_credentials

Backend implementation

export_to_ld.py from scripts

Node details

Input ports
  1. Type: Table
    Structures in Maestro or Sd format
    Structures in Maestro or Sd format
  2. Type: com.schrodinger.knime.port.connection
    LiveDesign Connection information
    LiveDesign Connection information

Extension

The Export to LiveDesign node is part of this extension:

  1. Go to item

Related workflows & nodes

  1. Go to item
    GE
    schroedinger > Internal development > 23-1 > GE
    schroedinger
  2. Go to item
    LiveDesign import and export
    LiveDesign Schrodinger
    Structures and properties are retrieved from LiveDesign. New properties are added to an e…
    schroedinger > LiveDesign_models > _Import_and_export_to_LiveDesign > LD import and export
    schroedinger
  3. Go to item
    Library design workshop
    Library Design MacroModel
    Bioisostere and R-group enumeration using custom or predefined isosteres and libraries. R…
    schroedinger > Workflow_examples > Library design > Library design workshop > Library design workshop
    schroedinger
  4. Go to item
    Biased diversity selection
    Schrodinger LiveDesign
    The score erosion algorithm is used to select a subset of compounds that have the highest…
    schroedinger > LiveDesign_models > Cheminformatics > Biased diversity selection
    schroedinger
  5. Go to item
    Dihedral from SMARTS --- test on Demo
    schroedinger > Internal development > 22-3 > Dihedral from SMARTS --- test on Demo
    schroedinger
  6. Go to item
    Binding pose strain
    LiveDesign MacroModel Schrodinger
    It minimizes the binding pose conformation to a local minimum and runs a conformational s…
    schroedinger > LiveDesign_models > Docking post-processing > Binding pose strain
    schroedinger
  7. Go to item
    Bioisostere replacement
    LiveDesign Schrodinger Library design
    Replaces functional groups of each input ligand with bioisosteres, generating all the sin…
    schroedinger > LiveDesign_models > Ligand preparation and library design > Bioisostere replacement
    schroedinger

No known nodes available

KNIME
Open for Innovation

KNIME AG
Talacker 50
8001 Zurich, Switzerland
  • Software
  • Getting started
  • Documentation
  • E-Learning course
  • Solutions
  • KNIME Hub
  • KNIME Forum
  • Blog
  • Events
  • Partner
  • Developers
  • KNIME Home
  • KNIME Open Source Story
  • Careers
  • Contact us
Download KNIME Analytics Platform Read more on KNIME Business Hub
© 2023 KNIME AG. All rights reserved.
  • Trademarks
  • Imprint
  • Privacy
  • Terms & Conditions
  • Credits