Documentation (VF 1.0)
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  • Introduction
  • General Features
  • Installation
    • Prerequisities
    • VirtualFlow
    • VFTools
    • Uninstallation
  • Background and Principles
    • Directory Structure
    • Input & Output Databases
    • Job Organization
  • Using VirtualFlow
    • VirtualFlow Commands
    • Preparing the Workflow
    • Starting the Workflow
    • Controlling the Workflow
    • Monitoring the Workflow
    • The Completed Workflow
  • Running VirtualFlow in the Cloud
  • Troubleshooting
  • Version History
  • Further Resources
  • VFLP
    • Introduction
    • Features
    • Installation
      • Prerequisities
      • External Packages
    • Background and Principles
      • Directory Structure
      • Input & Output Databases
    • Using VFLP
    • Troubleshooting
    • Version History
  • VFVS
    • Introduction
    • Features
    • Installation
      • External Packages
    • Background and Principles
      • Directory Structure
      • Input & Output Databases
    • Using VFVS
      • Preparing the Workflow
      • Monitoring the Workflow
      • The Completed Workflow
    • Troubleshooting
    • Version History
  • VFTools
    • Introduction
    • Installation
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  1. VFLP

Using VFLP

The usage of VFLP is the same as the usage of VirtualFlow in general, which is described here.

All specific options/features which one can activate/configure in VFLP are described in the control file tools/templates/all.ctrl, where the values for all of them can be specified. These options/features include:

  • Neutralization

  • Desalting

  • Tautomerization

  • Protonation

  • 3D Conformer Generation

  • Target Format Generation

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Last updated 6 years ago