continuousflex.protocols.protocol_pdb_dimred module

class continuousflex.protocols.protocol_pdb_dimred.FlexProtDimredPdb(**kwargs)[source]

Bases: pwem.protocols.protocol_3d.ProtAnalysis3D

Protocol for applying dimentionality reduction on PDB files.

PDB2List(lines)[source]
createOutputStep()[source]
getDeformationFile()[source]
getInputPdbs()[source]
getOutputMatrixFile()[source]
performPDBdimred(pdb_mat, reducedDim, method, extraParams, deformationsFile)[source]
readPDB(fnIn)[source]