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updated README
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Francois BERENGER committed Jun 20, 2017
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# consent
chemoinformatics tool for ligand-based virtual screening
# Consent
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 <strat> consensus strategy {sing|oppo|opti|real|know} (mandatory)
-q <filename> queries file (known actives; mandatory)
-db <filename> database to rank order (mandatory)
-o <filename> where to write scores (can be combined with -top)
-n <int> consensus size; #known actives used to create query (optional; default=all molecules in query file)
-top <int> how many top scoring molecules to write out (optional; default=all; must be combined with -o)

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