Hi,
I am new to both Modeller and homology modeling, and trying to do a simple modeling with the following script but I keep getting the error:
Protein specified in ALIGN_CODES(i) was not found in the alignment file; ALIGN_CODES( 1) = proe
# Homology modeling by the automodel class
from modeller import * # Load standard Modeller classes
from modeller.automodel import * # Load the automodel class
log.verbose() # request verbose output
env = environ() # create a new MODELLER environment to build this model in
# directories for input atom files
env.io.atom_files_directory = ['.', '.']
a = automodel(env,
alnfile = 'alignment6.ali', # alignment filename
knowns = 'proe', # codes of the templates
sequence = 'alp7') # code of the target
a.starting_model= 1 # index of the first model
a.ending_model = 1 # index of the last model
# (determines how many models to calculate)
a.make() # do the actual homology modeling
Here is my alignment6.ali file:
>P1; PROE
structureX:PROE:1:E:476:E:::-1.00:-1.00
-----------------------NEEGRLIEKLLGDYDKRIKPAKTLDHVIDVTLKLTLT
NLISLNEKEEALTTNVWIEIQWNDYRLSWNTSEYEGIDLVRIPSELLWLPDVVLENNVDG
QFEVAYYANVLVYNDGSMYWLPPAIYRSTCPIAVTYFPFDWQNCSLVFRSQTYNAHEVNL
QLSAEEGIDPEDFTENGEWTIRHRPAKKNYNWQLTKDDIDFQEIIFFLIIQRKPLFYIIN
IIAPCVLISSLVVLVYFLPAQAGGQKCTLSISVLLAQTIFLFLIAQKVPETSLNVPLIGK
YLIFVMFVSLVIVTNCVIVLNVSLRTPN--------------------------------
------------------------------------------------------------
-----------------THSCVEACNFIAKSTKEQNDSGSENENWVLIGKVIDKACFWIA
LLLFSLGTLAIFLTG--HLNQVPE---*
>P1; ALP7
sequence:ALP7:::::::0.00:0.00
MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLL
QIMDVDEKNQVLTTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADE
RFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWSYGGWSLDL
QMQEAD---ISGYIPNGEWDLVGIPGKRSERFYECCKEP-YPDVTFTVTMRRRTLYYGLN
LLIPCVLISALALLVFLLPADSG-EKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQ
YFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKWTRVILLNWCAWFLRMKRPGEDKVRP
ACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFRGLDGVHCVPTPDSGVVCGRMACSPT
HDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQDESEAVCSEWKFAACVVDRLCLMAF
SVFTIICTIGILMSAPNFVEAVSKDFA*
Thanks,
tkucuk