OTHERCELL (CCP4: Supported Program)

NAME

othercell

SYNOPSIS

othercell [-tolerance <angular_tolerance>] [xmlout <output.xml>]

Examples
Release Notes

DESCRIPTION

This program takes an input unit cell and lattice centering type, and generates all possible equivalent alternative unit cells with the tolerance (default 3°: note that this number affects both cell lengths and cell angles). A "target" cell may be given, in which case only alternatives which match this (within the tolerance) are listed. If run interactively from the command line, the user is prompted for input.

The program shares code with Pointless.

Input line 1:   unit cell dimensions, lattice type
    cell  is  a b c  alpha  beta  gamma
    lattice type:  P, A, B, C, I, F, R

Input line 2: [optional]  target cell
    a b c  alpha  beta  gamma

Examples

Just list alternatives (in this case hexagonal, trigonal, orthorhombic, monoclinic and triclinic)

othercell << EOF
74.72 129.22 184.25  90.00  90.00  90.00 C
EOF

Choose matching alternatives (in this case hexagonal, trigonal,  and triclinic)

othercell << EOF
74.72 129.22 184.25  90.00  90.00  90.00 C
74.72 129.22 184.25  90.00  90.00  90.00
EOF

Release notes

1.2

Tidied output slightly, added this documentation