NAME

voronota-volumes - calculate and query atomic volumes

DESCRIPTION

'voronota-volumes' script provides a way for calculating and querying atomic volumes 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
--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:

--atoms-query: string atoms query parameters
--per-residue: flag to output per-residue results
--multiple-models: flag to handle multiple models in PDB file

Standard output (multiple lines):

: {name} {volume}