run

A program to find frequent molecular substructures and discriminative fragments in a database of mol

#!/bin/bash

CLASSPATH="..:moss.jar"; export CLASSPATH

java -Xmx800M moss.MoSS $* &

#java moss.Miner "S" data/example1.smiles -s50 -v example1.sub example1.ids
#java moss.Miner "S" data/example2.smiles -s-2 -v
#java moss.Miner "N" data/noperfect.smiles -s100 -v
#java moss.Miner "N" data/noperfect.smiles -s50 -v -r5:6 -R
#java moss.Miner "N" data/chains.smiles -C -s100 -v
#java moss.Miner "N" data/rings1.smiles -s-1 -v -r5:6 -R +q
#java moss.Miner "N" data/rings2.smiles -s-1 -v -r5:6 -R +q
#java moss.Miner "N" data/rings3.smiles -s-1 -v -r5:6 -R +q
#java moss.Miner ""  data/atomprop.smiles -s-1 -v +c +a

#java moss.Miner "" data/steroids.smiles -s100 -r5:6 -R -e -p
#java moss.Miner "" data/steroids.smiles -s100 -r5:6 -R -e +p
#java moss.Miner "" data/steroids.smiles -s100 -r5:6 -R +e -p
#java moss.Miner "" data/steroids.smiles -s100 -r5:6 -R +e +p

#java moss.Miner "" data/steroids.smiles -s100 -e -p -q
#java moss.Miner "" data/steroids.smiles -s100 -e +p -q
#java moss.Miner "" data/steroids.smiles -s100 +e -p -q
#java moss.Miner "" data/steroids.smiles -s100 -e -p +q
#java moss.Miner "" data/steroids.smiles -s100 +e -p +q
#java moss.Miner "" data/steroids.smiles -s100 +e +p +q