Metadata-Version: 2.1
Name: threed_strudel
Version: 0.9
Summary: Strudel package
Home-page: UNKNOWN
Author: Andrei Istrate
Author-email: andrei@ebi.ac.uk
License: Apache License
Description: # threed_strudel
        threed_strudel is a set of tools for cryo-EM maps data mining and motif based map-model validation. 
        # Requirements
        biopython, mrcfile, mpi4py, psutil, scipy, ChimeraX
        # Instalation
            pip install threed-strudel
        
        # Set ChimeraX path
            strudel_setChimeraX.py path_to_chimeraX_executable 
            
        # Usage
        Chop an atomic model and the corresponding EM map into amino acid residues:
        
            strudel_chopModelMapMPI.py [options]
        
        Classify amino acid residues into rotamer classes based on the Penultimate rotamer library 
        (JS Richardson and DC Richardson (2000) "The Penultimate Rotamer Library"
        Proteins: Structure Function and Genetics 40: 389-408.) 
        
            strudel_penultimateClassifier.py [options]
           
        Superimpose and average amino acid residues maps using atom models as guide (requires rotamer classes generated by strudel_penultimateClassifier.py).
        
             strudel_mapAveraging.py [options]
             
        Strudel score calculation. EM map-model validation based on strudel motif libraries.
        Requires strudel map-motif libraries (http://ftp.ebi.ac.uk/pub/databases/emdb_vault/strudel_libs/).
        The results can be visualised using the Strudel Score plugin for ChimeraX (https://cxtoolshed.rbvi.ucsf.edu/apps/chimeraxstrudelscore).
        
        
            strudel_mapMotifValidation.py [options]
            
        # License
        
        threed_strudel is free and open source software released under the terms of the Apache License, Version 2.0. 
        Source code is copyright EMBL-European Bioinformatics Institute (EMBL-EBI) 2017.
            
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/markdown
