8c7303cf0c49de8b8a18a101876f0eed9155ab90,prody/ensemble/functions.py,,buildPDBEnsemble,#Any#Any#Any#Any#Any#Any#Any#Any#Any#,337

Before Change

    // obtain the hierarhical view of the reference PDB
    refhv = refpdb.getHierView()
    refchains = list(refhv)

    // obtain the atommap of all the chains combined.
    atoms = refchains[0]
    for i in range(1, len(refchains)):

After Change

            raise ValueError("labels and PDBs must be the same length.")

    msa = kwargs.get("msa", None)
    if msa is not None:
        if len(msa) != len(PDBs):
            raise ValueError("msa and PDBs must be the same length.")

        alignments = []
        refseq = msa[msa.getIndex(refpdb.getTitle())]
        for sequence in msa:
            alignments.append([str(refseq), str(sequence)])

        kwargs.set("alignments", alignments)

    // obtain refchains from the hierarhical view of the reference PDB
    refchains = list(refpdb.getHierView())

    // obtain the atommap of all the chains combined.
    atoms = refchains[0]

Instances