#!/usr/local/bin/python2.3
import os, sys, socket

try:
    date = sys.argv[1]
except IndexError:
    print '\nUsage: b8.5_ionizer.py file-identifier(e.g. _mol_32007)\n'
    raise SystemExit()

if socket.gethostname() != 'bjork.compbio.ucsf.edu':
    print '\nRun on bjork!\n'
    raise SystemExit()

# Just run ionizer
os.system('sdconvert -st -isd b8.4'+date+'_ln_out.sdf -omae b8.4'+date+'_ln_out.mae')
os.system('ionizer -i 2 -ph 7 -s ~joha/PETC/PYTHON/DATABASE_SCRIPTS/ionizer_tiSHO_exclude.ini -i b8.4'+date+'_ln_out.mae -l b8.5'+date+'_ln.log -b b8.5'+date+'_ln_bad.mae -o b8.5'+date+'_ln_out.mae')
os.system('sdconvert -imae b8.5'+date+'_ln_out.mae -osd b8.5'+date+'_ln_out.sdf')