AlloViz.AlloViz.trajutils

Module containing functions for trajectory processing

Functions in this module are used by AlloViz.Protein for input file processing or by other functions herein to process and prepare the passed input files for analysis with the rest of AlloViz’s functionalities.

Functions

download_GPCRmd_files(GPCRmdid, path)	Download the files of a GPCRmd dynid stored in the database
download_SCoV2MD_files(scov2mdid, path)	Download the files of a SARSCoV2-MD dynid stored in the database
get_GPCRdb_numbering(protein)	Retrieve the GPCRdb-assigned generic numbering of a GPCR structure
get_bonded_cys(pdbf)	Identify disulfide bond-forming cysteines' sulphur atoms
process_input(GPCR, pdb, protein_sel, pdbf, ...)	Process the input structure and trajectory(ies) files
standardize_resnames(protein, **kwargs)	Change the residue names of a protein to standard 3-letter codes