from modeller import *
log.verbose()
env = environ()
env.libs.topology.read(file='$(LIB)/top_heav.lib')
# Read aligned structure(s):
aln = alignment(env)
aln.append(file='AIRE_res.ali', align_codes='all')
aln_block = len(aln)
# Read aligned sequence(s):
aln.append(file='AIRE.ali', align_codes='AIRE')
# Structure sensitive variable gap penalty sequence-sequence alignment:
aln.salign(output='', max_gap_length=20,
gap_function=True, # to use structure-dependent gap penalty
alignment_type='PAIRWISE', align_block=aln_block,
feature_weights=(1., 0., 0., 0., 0., 0.), overhang=0,
gap_penalties_1d=(-450, 0),
gap_penalties_2d=(0.35, 1.2, 0.9, 1.2, 0.6, 8.6, 1.2, 0., 0.),
similarity_flag=True)
aln.write(file='AIRE-mult.ali', alignment_format='PIR')
aln.write(file='AIRE-mult.pap', alignment_format='PAP')Attachment:
AIRE-mult.ali
Description: Binary data
Attachment:
Mannual_Alignment.ali
Description: Binary data
env = environ()
aln = alignment(env)
mdl = model(env, file='1M9D', model_segment=('FIRST:C','LAST:C'))
aln.append_model(mdl, align_codes=('1M9DC'), atom_files='1M9D.pdb')
aln.append(file='AIRE.ali', align_codes='AIRE')
aln.align2d()
aln.write(file='AIRE-mult.ali', alignment_format='PIR')
aln.write(file='AIRE-mult.pap', alignment_format='PAP')
Attachment:
AIRE-1H5P.ali
Description: Binary data
Attachment:
AIRE-1M9D.ali
Description: Binary data
Attachment:
AIRE-1XWH.ali
Description: Binary data
Attachment:
AIRE-2AZW.ali
Description: Binary data