VORONOTA-VOLUMES

NAME

voronota-volumes - manual page for voronota-volumes 1.22.3149

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 or mmCIF 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}