NAME

       voronota-contacts - manual page for voronota-contacts 1.22.3149

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 or mmCIF format

       --input-filter-query
              string      input atoms filtering query parameters

       --contacts-query
              string      contacts query parameters

       --contacts-query-additional
              string      additional, preceeding query parameters, default is '--match-min-seq-sep 1'

       --cache-dir
              string      path to cache directory

       --sum-at-end
              flag to print sum of areas as the last line in output

       --tsv-output
              flag to output table in tab-separated values format with header

       --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

       --use-hbplus
              flag to run 'hbplus' to tag H-bonds

   Standard output (multiple lines):
              {contacting  atom}  {contacting  atom}  {contact  area}  {distance  between  atoms centers} {tags}
              {adjunct values}

voronota-contacts 1.22.3149                       October 2022                              VORONOTA-CONTACTS(1)