?Dear Ben,
I'm trying to run this script.
import time
from modeller import *
from modeller.automodel import *
from modeller.scripts import complete_pdb
#log.level(output=1, notes=1, warnings=1, errors=1, memory=0)
log.verbose()
env = environ()
env.io.atom_files_directory = ['../atom_files']
aln = alignment(env)
aln.append(file='5fd1_1fdx_sequence.fasta', align_codes=('5fd1', '1fdx'), alignment_format='FASTA')
#aln.append(file='alignment.ali', align_codes=('5fd1', '1fdx'))
aln.align()
aln.write(file='5fd1_1fdx_output.fasta', alignment_format='FASTA')
#aln.write(file='alignment_output.ali')
#aln.check()
a = automodel(env,
alnfile = '5fd1_1fdx_output.fasta', # alignment filename
knowns = '5fd1', # codes of the templates
sequence = '1fdx') # code of the target
a.starting_model= 10 # index of the first model
a.ending_model = 10 # index of the last model
a.very_fast() # prepare for extremely fast optimization
start_time = time.time()
a.make()
print("duration for model building is: ", time.time()-start_time)?baci
basically I'm taking as input from 5fd1_1fdx_sequence.fasta? file (please find attached) two input protein sequences in FASTA format, and then aligning them with the aln.align() function and writing the output in
5fd1_1fdx_output.fasta then eventually use it to build a model using the automodel function. whenever I call the model.make() function I'm getting this error.
Traceback (most recent call last): File "/home/mossig/anaconda/scripts/modeller/automodel/align_fasta.py", line 43, in <module> a.make() File "/usr/lib/modeller9.14/modlib/modeller/automodel/automodel.py", line 110, in make self.homcsr(exit_stage) File "/usr/lib/modeller9.14/modlib/modeller/automodel/automodel.py", line 475, in homcsr aln = self.read_alignment() File "/usr/lib/modeller9.14/modlib/modeller/automodel/automodel.py", line 465, in read_alignment aln.append(file=self.alnfile, align_codes=codes) File "/usr/lib/modeller9.14/modlib/modeller/alignment.py", line 79, in append allow_alternates) _modeller.ModellerError: read_al_373E> Protein specified in ALIGN_CODES(i) was not found in the alignment file; ALIGN_CODES( 1) = 5fd1
?Can't I build a model from a pairwise fasta alignment? Thank you.