#!/usr/local2/bin/python2.3

import os, sys, string

inf = sys.argv[1]
prefix = 'cysprot_92rxn'+inf[string.find(inf, 'rxn')+3:-4]

# Just run ionizer
#os.system('sdconvert -st -isd '+inf+' -omae '+inf[:-4]+'.mae')
os.system('ionizer -i 2 -ph 7 -s ~joha/PETC/PYTHON/DATABASE_SCRIPTS/ionizer_Sneg_exclude.ini -i '+inf[:-4]+'.mae -l '+prefix+'.log -b '+prefix+'_bad.mae -o '+prefix+'.mae')
os.system('sdconvert -imae '+prefix+'.mae -osd '+prefix+'.sdf')