modiefied molBLOCKS v0.1 -- 09/10/16 Copyright (c) 2016 Kathrin Heikamp. This is the modified molBLOCKS program as described in: Exhaustive Sampling of the Fragment Space Associated to a Molecule Leading to the Generation of Conserved Fragments Kathrin Heikamp, Fabio Zuccotto, Michael Kiczun, Peter Ray, and Ian H. Gilbert submitted If you use this program, please cite the paper. The original version molBLOCKS is described in: molBLOCKS: decomposing small molecule sets and uncovering enriched fragments Dario Ghersi and Mona Singh ----------------------------------------------------------------------------- INSTALLATION -- SOURCE CODE Please follow the instructions in the README_molBLOCKS of the original molBLOCKS program. ----------------------------------------------------------------------------- EXAMPLE CALL: To run the program with the extended RECAP rules and additional parameters as described in the paper, type the following: # fragment -r extendedRECAP.txt -i all_drugs.txt -n 5 -k 8 -w 300 -s 0.99 -o out.txt -x For example files and runs, please see the original program. ----------------------------------------------------------------------------- Please send an email to Kathrin Heikamp (kheikamp [at] gmx.net) if you have any questions. This program is published under the [GNU General Public License](http://www.gnu.org/licenses/gpl.html).