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VORONOTA-CONTACTS(1) |
User Commands |
VORONOTA-CONTACTS(1) |
NAME¶
voronota-contacts - calculate and query interatomic contacts
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 format
- --input-filter-query
- string input atoms filtering query parameters
- --contacts-query
- string contacts query parameters
- --contacts-query-additional
- string additional contacts 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:¶
- --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
Standard output (multiple lines):¶
- {contacting atom} {contacting atom} {contact area} {distance between atoms
centers} {tags} {adjunct values}