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VORONOTA-VOLUMES(1) User Commands VORONOTA-VOLUMES(1)

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}