AlloViz.AlloViz.trajutils.get_bonded_cys¶
- AlloViz.AlloViz.trajutils.get_bonded_cys(pdbf)[source]¶
Identify disulfide bond-forming cysteines’ sulphur atoms
Returns a list of the residue indices of cysteines whose sulphur atoms form a disulfide bond using ParmEd. These are used downstream by the PyInteraph2_Contacts network construction method to delete them from the results, as the program does not detect the bonds by itself and it results in contact frequencies of ‘1’ that are uninteresting for allosteric communication.
- Parameters:
- pdbfstr
Filename of the already-processed protein PDB structure to use for detection.