8c7303cf0c49de8b8a18a101876f0eed9155ab90,prody/ensemble/functions.py,,buildPDBEnsemble,#Any#Any#Any#Any#Any#Any#Any#Any#Any#,337
Before Change
if labels is not None:
if len(labels) != len(PDBs):
raise TypeError("labels and PDBs must have the same lengths.")
// obtain the hierarhical view of the reference PDB
refhv = refpdb.getHierView()
refchains = list(refhv)
After Change
if len(labels) != len(PDBs):
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]
In pattern: SUPERPATTERN
Frequency: 3
Non-data size: 7
Instances
Project Name: prody/ProDy
Commit Name: 8c7303cf0c49de8b8a18a101876f0eed9155ab90
Time: 2018-03-04
Author: jamesmkrieger@gmail.com
File Name: prody/ensemble/functions.py
Class Name:
Method Name: buildPDBEnsemble
Project Name: prody/ProDy
Commit Name: a902ddf5be91cb738efb1746847f74bb0f756ae2
Time: 2021-02-01
Author: jamesmkrieger@gmail.com
File Name: prody/dynamics/perturb.py
Class Name:
Method Name: calcDynamicCouplingIndex
Project Name: prody/ProDy
Commit Name: a902ddf5be91cb738efb1746847f74bb0f756ae2
Time: 2021-02-01
Author: jamesmkrieger@gmail.com
File Name: prody/dynamics/perturb.py
Class Name:
Method Name: calcDynamicFlexibilityIndex