Jan 4 2018 Feedback.
Contents
 
Introduction
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
Learn and Predict
Docking
Virtual Screening
MolScreen
3D Ligand Editor
 Setup Ligand and Receptor
 Preferences
 Display Options
 Score and Strain
 Edit Ligand
 Screen Replacement Group
 Scan
 Dock or Minimize
 Dock Table
 Fragment Linking
 Restraints
 Docking Templates
 Flexible Groups
 Refinement
 Multiple Receptor Docking
 Covalent Docking
 Dock to APF
 Save Docked Complex
 Export Docking Project
 Close Project
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
14.19 Export Docking Project.
Next

Available in the following product(s): ICM-Pro | ICM-VLS | ICM-Chemist-Pro

This option makes it easy to switch from the 3D ligand editor environment (ligedit tab) to the docking menu. All the docking setup steps you have created in the 3D ligand editor are converted so you can use the docking and screening options in the docking menu.

  • Setup the ligand and receptor in the ligedit tab. Perform edits to the ligand etc...
  • Click on the Advanced button in the ligedit tab
  • Click on Export to Docking Project
  • You can choose to run a docking job immediately with the current ligand or just create the docking files. Check or uncheck the Run Docking Job button.
  • The docking files will be placed in your working directory (Tools/Change Working Directory). The files will have the docking project name dock_name_of_receptor and be stored in a directory called dock_name_of_receptor
  • You can use these files to perform screening using the docking menu. For example you would set the docking project name as dock_name_of_receptor.


Prev
Save Docked Complex
Home
Up
Next
Close Project

Copyright© 1989-2018, Molsoft,LLC - All Rights Reserved.
This document contains proprietary and confidential information of Molsoft, LLC.
The content of this document may not be disclosed to third parties, copied or duplicated in any form,
in whole or in part, without the prior written permission from Molsoft, LLC.