from modeller import * env = environ() env.io.atom_files_directory = ['.', 'atom_files'] # Make a simple 1:1 alignment of 7 template structures aln = alignment(env) for (pdb, chain) in (('3d3l', 'A'), ('1lox', 'A'), ('2p0m', 'A'), ('3dy5', 'A'), ('3fg1', 'A'), ('3fg4', 'B'), ('2iuk', 'A')): m = model(env, file=pdb, model_segment=('FIRST:'+chain, 'LAST:'+chain)) aln.append_model(m, atom_files=pdb, align_codes=pdb+chain) # Sequence alignment aln.malign() # Structure alignment aln.malign3d() # Report details of the sequence/structure alignment aln.compare_structures() aln.id_table(matrix_file='family.mat') env.dendrogram(matrix_file='family.mat', cluster_cut=-1.0)