Skip to content
No description, website, or topics provided.
Branch: master
Clone or download
Latest commit a97a5f9 Oct 31, 2018
Permalink
Type Name Latest commit message Commit time
Failed to load latest commit information.
packages gcac-1.0.0 Jun 8, 2018
suites/suite_gcac_1_0 gcac-1.0.0 Jun 8, 2018
tools gcac-1.0.0 Jun 8, 2018
.gitignore gcac-1.0.0 Jun 8, 2018
LICENSE gcac-1.0.0 Jun 8, 2018
README.md Update README.md Oct 31, 2018

README.md

GCAC

GCAC can be used as virtual screening platform for drug discovery process. User may create , share and use predictive model that can be used to predict the activity of given compound. The GCAC uses PaDEL for descriptor calculation and R-caret for predictive modelling. “MayaChemTools” used for extracting the potential compounds from large compound library (SDF/Mol). Entire GCAC pipeline is available as galaxy wrapper which ensures reproducibility and sharing of code and data across the globe.

Availability

  1. As Virtual Machine (Link)
  2. As Toolshed Repository (Link)
  3. As Demo Server (Link)

If Toolshed repository is used for installation in galaxy then following prerequisites are need to be address.

Prerequisites :

  1. The system package dependencies for GCAC. The following yum packages need to be installed on the Galaxy instance host machine.
  • ed
  • mawk
  • readline
  • readline-devel
  • zlib
  • zlib-static
  • zlib-devel
  • bzip2
  • bzip2-devel
  • openmpi-devel
  • libpng
  • libpng-static
  • libpng-devel
  • NLopt-devel
  • texlive-*
  • texinfo
  • java-1.8.0-openjdk-devel
  1. The latex package dependencies for GCAC. The following latex packages need to be installed on the Galaxy instance host machine.
  • algorithm2e
  • relsize

Note:

Manual available at demo server. You may download manual from here also. Other important documents are available at demo server “http://ccbb.jnu.ac.in/gcac”.

You can’t perform that action at this time.