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SYMOPS(1) General Commands Manual SYMOPS(1)

NAME

symops - print out symmetry operators for a given space group, or print out those symmetry operators that belong to the group, while diagnosing as errors those operators that do not belong to the group.

SYNOPSIS

symops --options P212121

symops --options P212121 -- -y,-x,z -x,y,z

symops --hall -- '-P 2 2'

symops --hall -- '-P 2 2' "-y,-x,z" "-x,y,z"

DESCRIPTION

Print out symmetry operators for a given space group, or print out those symmetry operators that belong to the group, while diagnosing as errors those operators that do not belong to the group.

OPTIONS

-q, --quiet
Do not output recognised operator names (default).

-v, --verbose
Print out symmetry operators, negate the '-q' option.

--hall Use Hall symbols for lookup

--hermann-mauguin Use Hermann-Mauguin symbols for lookup

--schoenflies Use Schönflies symbols for lookup

--error-messages
Print error messages about unrecognised symmetry
operators (default).

--no-error-messages
Do not print error messages about missing
symmetry operators, just return a non-zero
status if such are encountered.

--help, --usage
Output a short usage message (this message) and exit.

--version
Output version information and exit.

REPORTING BUGS

Report symops bugs using e-mail: cod-bugs@ibt.lt