Structural Bioinformatics Library
Template C++ / Python API for developping structural bioinformatics applications.
Residue_mapping Class Reference

Constructions

 __init__ (self, verbose, pdb_id2path, adir)
 Default constructor.

Basic Statistics

Compute mapping from the old index to the new index

 get_dic_sequence (self, pdbfile, chain_name)
 Return the original numbering of a chain according to the PDB file.
 process_id (self, chain_name)
 Extract the tag\, the pdbid and the chain from the complete chain name.
 compute_mapping (self, MISA_id)
 Compute the mapping between the original index of each chain and its new index according to the MSA.
 compute_MSA (self, MISA_id, chains_to_map)
 Compute the MSA using Clustal Omega.
 create_FASTA (self, MISA_id, chains_to_map)
 Create a FASTA file from the sequence of each chain to align.
 call_to_clustalo (self, MISA_id)
 Call Clustal Omega on the FASTA files from all the chains from the MISA id.

Detailed Description

Realign homologous chains with a different numbering. Compute or read the MSA and compute reindexing of the chains after realignment.

Constructor & Destructor Documentation

◆ __init__()

__init__ ( self,
verbose,
pdb_id2path,
adir )

Default constructor.

Member Function Documentation

◆ call_to_clustalo()

call_to_clustalo ( self,
MISA_id )

Call Clustal Omega on the FASTA files from all the chains from the MISA id.

◆ compute_mapping()

compute_mapping ( self,
MISA_id )

Compute the mapping between the original index of each chain and its new index according to the MSA.

◆ compute_MSA()

compute_MSA ( self,
MISA_id,
chains_to_map )

Compute the MSA using Clustal Omega.

◆ create_FASTA()

create_FASTA ( self,
MISA_id,
chains_to_map )

Create a FASTA file from the sequence of each chain to align.

◆ get_dic_sequence()

get_dic_sequence ( self,
pdbfile,
chain_name )

Return the original numbering of a chain according to the PDB file.

◆ process_id()

process_id ( self,
chain_name )

Extract the tag\, the pdbid and the chain from the complete chain name.