Consent

Francois Berenger 2017
Chemoinformatics software for Ligand-Based Virtual Screening (LBVS) using consensus queries.

Usage

./consent -s {sing|oppo|opti|real|know} -q queries.{sdf|mol2|csv|ecfp4} -db candidates.{sdf|mol2|csv|ecfp4}

  -s  consensus strategy {sing|oppo|opti|real|know} (mandatory)
  -q  queries file (known actives; mandatory)
  -db  database to rank order (mandatory)
  -o  where to write scores (can be combined with -top)
  -n  consensus size; #known actives used to create query (optional; default=all molecules in query file)
  -top  how many top scoring molecules to write out (optional; default=all; must be combined with -o)

File	consent.tar.gz
Datasets	Available at mendeley

DIPOCOUP

Jens Meiler, 1999-2000
The program offers a fast and comfortable tool analyzing and handling dipolar coupling data. Powder pattern can be visualized, theoretical dipolar couplings can be calculated for a given structure and alignment and experimental values can be fitted over one or even a set of structures in order to perform e. g. a 3D homology search for proteins. A well distributed database extracted from the PDB is available. Moreover restraint files for XPlor and CNS calculations can be written. The program is written in Ansi C++ and the interface is Windows. All input and output files are given in Ascii format.

File	dipocoup.zip
Help	dipocoup_help.zip

SMART

Jens Meiler, 1998-1999

The program offers a fast and comfortable tool for creating, training and analyzing artificial back propagation neural networks on PC's. The program is written in Ansi C++ and the interface is Windows. All files containing the net and data information as well as all protocols are written in Ascii format.

File

smart.zip