Dear Modeller users,
I'm trying to force a local alignment while using salign function in
mod9.15, and it fails with error:
"modeller.ModellerError: align_l_251E> MATRIX_OFFSET probably has an
invalid value: 0.0000"
My script ( mod-3nnt-prim.cons-aln.py ):
from modeller import *
env = environ()
aln = alignment(env)
m = model(env, file='./tmp-NmArZQ.pdb', model_segment=('FIRST:A', 'LAST:B'))
aln.append_model(m, atom_files='./tmp-NmArZQ.pdb', align_codes='3nnt_x')
aln.append( file='./tmp-q4VfPF.fasta', alignment_format='FASTA',
align_codes='prim.cons')
aln.salign(local_alignment=True)
aln.write(file='mod-3nnt-prim.cons.pir')
The output:
Traceback (most recent call last):
File "mod-3nnt-prim.cons-aln.py", line 8, in ?
aln.salign(local_alignment=True)
File "/usr/lib/modeller9.15/modlib/modeller/alignment.py", line 395,
in salign
nsegm, matrix_offset_3d, break_break_bonus)
_modeller.ModellerError: align_l_251E> MATRIX_OFFSET probably has an
invalid value: 0.0000
The error comes from a call to a function:
retval = func(self.modpt, ... , local_alignment, .... , nsegm,
matrix_offset_3d, break_break_bonus)
that is defined as:
func = _modeller.mod_salign
If I remove the option "local_alignment=True", it runs flawlessly.
Any idea about what can be happening?
Thanks in advance,
David.
