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added compare example
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hng committed Mar 23, 2015
1 parent 003c974 commit 6681899
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15 changes: 15 additions & 0 deletions src/MODELLER/modeller-basic-example-julia/compare.jl
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using PyCall
@pyimport modeller

env = modeller.environ()
aln = modeller.alignment(env)
for (pdb, chain) in (("1b8p", "A"), ("1bdm", "A"), ("1civ", "A"),
("5mdh", "A"), ("7mdh", "A"), ("1smk", "A"))
m = modeller.model(env, file=pdb, model_segment=("FIRST:$chain", "LAST:$chain"))
aln[:append_model](m, atom_files=pdb, align_codes=string(pdb, chain))
end
aln[:malign]()
aln[:malign3d]()
aln[:compare_structures]()
aln[:id_table](matrix_file="family.mat")
env[:dendrogram](matrix_file="family.mat", cluster_cut=-1.0)

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