mrparse.mr_homolog module¶

Created on 18 Oct 2018

@author: jmht

class HomologData[source]¶

Bases: object

OBJECT_ATTRIBUTES = ['hit', 'region']¶

property chain_id¶

property length¶

property name¶

property pdb_id¶

property query_start¶

property query_stop¶

property range¶

property region_id¶

property region_index¶

property score¶

property seq_ident¶

property static_dict¶: Return a self representation with all properties resolved, suitable for JSON

exception PdbModelException[source]¶: Bases: Exception

calculate_ellg(homologs, hkl_info)[source]¶

Run PHASER to calculate the eLLG values and update the homolog data

Sourced from: ccp4-src-2016-02-10/checkout/cctbx-phaser-dials-2015-12-22/phaser/phaser/CalcCCFromMRsolutions.py

ellg_data_from_phaser_log(fpath, homologs)[source]¶

homologs_from_hits(hits, pdb_dir=None)[source]¶

prepare_pdb(hit, pdb_dir)[source]¶: Download pdb or take file from cache trucate to required residues calculate the MW