Hub
Pricing About
  • Software
  • Blog
  • Forum
  • Events
  • Documentation
  • About KNIME
  • KNIME Community Hub
  • Search

5 results

Filter
Filter by tag
Phase
MacroModel Labs LigPrep Maestro Parameter flow variables Prime Quick form Scripting Pharmacophore
  1. Go to item
    Workflow
    Chemistry External Tool Node Use-cases
    Scripting Maestro Phase
    The Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends…
    schroedinger > Workflow_examples > Scripting > Chemistry external tool > Chemistry external tool 1
    0
    schroedinger
  2. Go to item
    Workflow
    Parameter flow variable use-cases
    Labs MacroModel Phase
    +4
    Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for …
    schroedinger > Workflow_examples > Labs > Parameter flow variables > Parameter flow variables 1
    0
    schroedinger
  3. Go to item
    Workflow
    Chemistry External Tool Node Use-cases
    Scripting Maestro Phase
    +1
    The Chemistry external tool nodes can be used to parse a log file with basic shell commands, run Shrodinger utilities or backends…
    schroedinger > Workflow_examples > Scripting > Chemistry external tool > Chemistry external tool 1-2
    0
    schroedinger
  4. Go to item
    Workflow
    Parameter flow variable use-cases
    Labs MacroModel Phase
    +4
    Use the parameter flow variables to control command-line options not exposed in the configuration panel. This is illustrated for …
    schroedinger > Workflow_examples > Labs > Parameter flow variables > Parameter flow variables 1-2
    0
    schroedinger
  5. Go to item
    Workflow
    Phase Screening
    Pharmacophore Phase Schrodinger
    Screen a file against one hypothesis. Prepare a set of ligands and create a Phase database. Screen this database against several …
    schroedinger > Workflow_examples > Pharmacophore > Phase screening > Phase screening
    0
    schroedinger

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