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NAME
voronota-contacts - calculate and query interatomic contacts
DESCRIPTION
'voronota-contacts' script provides a way for calculating and querying interatomic contacts with just one command (without the need to construct a pipeline from 'voronota' calls). Basic options: --input | -i string * input structure file in PDB format --input-filter-query string input atoms filtering query parameters --contacts-query string contacts query parameters --contacts-query-additional string additional contacts query parameters --cache-dir string path to cache directory --sum-at-end flag to print sum of areas as the last line in output --help | -h flag to display help message and exit Advanced options: --output-drawing string output file with drawing script for PyMol --drawing-parameters string drawing parameters --wireframe-drawing flag to draw wireframe representation of contacts --multiple-models flag to handle multiple models in PDB file Standard output (multiple lines): {contacting atom} {contacting atom} {contact area} {distance between atoms centers} {tags} {adjunct values} VORONOTA-CONTACTS(1)