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VORONOTA-VOROMQA(1) User Commands VORONOTA-VOROMQA(1)

NAME

voronota-voromqa - manual page for voronota-voromqa 1.22.3149

DESCRIPTION

'voronota-voromqa' script is an implementation of VoroMQA method using Voronota.

Basic options:

string input structure file in PDB or mmCIF format
string input atoms filtering query parameters
string output text file with atom scores
string output PDB file with atom scores as B-factors
string output text file with residue scores
string output PDB file with residue scores as B-factors
string output PNG image file with residue scores plot, requires R
flag to display help message and exit

Advanced options:

string path to cache directory
number residue scores smoothing window size, default is 5
string atoms query parameters to define selection
string contacts query parameters to define selection
string output text file with selected atom scores
string sequence file or string for residue renumbering
string output text file with sequence alignment
flag to print output header
flag to handle multiple models in PDB file
flag to output inter-chain interface scores
flag to display list of all command line options and exit

Standard output (one line):

{input file path} {global score} {number of residues} {number of atoms} [ {selection score} {number of selected atoms} ]
October 2022 voronota-voromqa 1.22.3149