more examples

src/MODELLER/modeller-basic-example-julia/align2d.jl

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+using PyCall
+@pyimport modeller
+
+env = modeller.environ()
+aln = modeller.alignment(env)
+mdl = modeller.model(env, file="1bdm", model_segment=("FIRST:A","LAST:A"))
+aln[:append_model](mdl, align_codes="1bdmA", atom_files="1bdm.pdb")
+aln[:append](file="TvLDH.ali", align_codes="TvLDH")
+aln[:align2d]()
+aln[:write](file="TvLDH-1bdmA.ali", alignment_format="PIR")
+aln[:write](file="TvLDH-1bdmA.pap", alignment_format="PAP")

src/MODELLER/modeller-basic-example-julia/evaluate_model.jl

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+using PyCall
+
+@pyimport modeller
+@pyimport modeller.scripts as scripts
+@pyimport _modeller
+
+mod_lib = _modeller.mod_libdir_get()
+
+modeller.log[:verbose]()    # request verbose output
+env = modeller.environ()
+env[:libs][:topology][:read](file=string(mod_lib, "/top_heav.lib")) # read topology
+env[:libs][:parameters][:read](file=string(mod_lib, "/par.lib")) # read parameters
+
+# read model file
+mdl = scripts.complete_pdb(env, "TvLDH.B99990002.pdb")
+
+# Assess with DOPE:
+s = modeller.selection(mdl)   # all atom selection
+s[:assess_dope](output="ENERGY_PROFILE NO_REPORT", file="TvLDH.profile",
+              normalize_profile=true, smoothing_window=15)