profiles = ud.getSSProfile(ss_profiles,csmotif)
sc_profile = profiles[int(sys.argv[4])]
# sort_nchi[sum(temp_nchi)]=[temp_nchi,temp_tensor, log, domain]
log = top_entry[-2]
dir_name, sp_profile, domain, direction = getSx(log, csmotif)
if direction == 'left':
smotif = ud.getSmotif(sc_profile, sp_profile)
else:
smotif = ud.getSmotif(sp_profile, sc_profile)
print csmotif, psmotif, smotif
init_data = ud.testinitData('rdc_file', 'ss_seq', 'cathdb', 'rmsd_cutoff')
rdc_file, ss_seq, cathdb, rmsd_cutoff = init_data[0], init_data[1], init_data[2], init_data[3]
cath_entries = ud.extractCath(smotif, cathdb)
#*********************************
# Search for needles in the haystack
#*********************************
B0 = 18.8
TinK = 298.0
Sorder = 1.0
scal = rf.rdcScal(Sorder, B0, TinK)
rdcd = ParaData(['rdc', ss_seq, rdc_file])
rdc_data = rdcd.processParaData()
psmotif = ud.startUp(boot_data)
csmotif = ud.getNextSmotif(map_route,psmotif)
print psmotif, csmotif
#backup psmotif boot file
move_bf="mv boot_rn.dict boot_"+str(psmotif[0])+"_"+str(psmotif[1])+".dict"
os.system(move_bf)
#************************
# Get the corresponding Profiles for current Smotif
#************************
profile = ud.getSSProfile(ss_profiles,csmotif)
print profile
init_data = ud.testinitData('population')
population = init_data[0]
if ud.stitchData(psmotif):
top_dict, top_list = ud.getUniqueTop(psmotif, population, cutoff=90.0)
print top_list
for tl in top_list:
print tl
print top_dict[tl][-2]
run_seq = ud.getRunSeq(top_list, profile)
#************************
# Schedule Jobs
#************************
machines=ud.parseMachines('mpi_hostfile')
#load in profile and map dict
#************************
brokerin= open('../setup/broker-ts3.txt','r')
ntags, tsets, npc_files=gettaginfo(brokerin.readlines())
brokerin.close()
f_ss=open("ss_profiles.dict",'r')
ss_profile=pickle.load(f_ss)
f_ss.close()
f_map=open("map_route.dict",'r')
map_route=pickle.load(f_map)
f_map.close()
init_data = ud.testinitData('broker_file', 'ss_seq', 'cathdb')
rdc_file, ss_seq, cathdb = init_data[0], init_data[1], init_data[2]
s1,s2=get_r0(map_route['map_route'])
s1_list,s2_list=get_profiles(s1,s2,ss_profile)
s1_struct=s1_list[int(sys.argv[1])]
s2_struct=s2_list[int(sys.argv[2])]
#smotif= get_smotif(s1_struct,s2_struct)
smotif = ud.getSmotif(s1_struct, s2_struct)
# ss_array has [['helix', 22, 2, 23], ['SStruct', len(SStruct),start_res, end_res]]
print smotif , s1_struct, s2_struct
