idock specifications

Unique identifier:
OMICS_03797
Restrictions to use:
None
Input format:
PDB
Output format:
GZIP
Stability:
Stable
Interface:
Web user interface
Input data:
A protein, a search space defined by a center and a size in unit Å and a set of compounds to dock.
Output data:
The predicted free energy, ligand efficiency, RF-Score, hydrogen bonds, molecular properties, link to substance information and supplier list of the successfully docked compounds and the predicted conformations of the top 1000 hit compounds.
Computer skills:
Basic
Maintained:
Yes

Subtools

  • RF-Score

idock specifications

Unique identifier:
OMICS_03797
Interface:
Command line interface
Operating system:
Unix/Linux, Mac OS, Windows
License:
Apache License version 2.0
Version:
2.2.2
Software type:
Application/Script
Restrictions to use:
None
Programming languages:
C, C++
Computer skills:
Advanced
Stability:
Beta

Subtools

  • RF-Score

versioning

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No versioning.

idock distribution

download

idock support

Documentation

Maintainers

  • Hongjian Li <>
  • Kwong-Sak Leung <>
  • Man-Hon Wong <>
This tool is not maintained anymore.

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Credits

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Publications

Institution(s)

Department of Computer Science and Engineering, The Chinese University of Hong Kong, Shatin, Hong Kong

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