AXISSEARCH (CCP4: Unsupported Program)
NAME
axissearch - Check all short reciprocal lattive vectors which may form a basis for a different unit cell.SYNOPSIS
axissearchDESCRIPTION
This program calculates the length of all short reciprocal lattice vectors and the angles between them. In some cases there may be a better basis than the assigned a*, b* and c*.The program reads three keywords:
INPUT CARDS
CELL a b c [alpha beta gamma] ( real space lattice) or a* b* c* [alpha* beta* gamma*] in reciprocal lattice units.
Read cell dimensions. These are used to define the reciprocal lattice geometry.
NDIST ndist [Default 10]
The "ndist" shortest reciprocal lattice vectors are found, and angles between all pairs generated.
AUTHORS
Originator : ?Contact : this program is unsupported
EXAMPLES
axissearch <1########################################################## ########################################################## ########################################################## ### CCP PROGRAM SUITE: AXISSEARCH VERSION 4.0: 28/06/93## ########################################################## User: ccp4 Run date: 4/ 3/00 Run time:13:57:54 Please reference: Collaborative Computational Project, Number 4. 1994. "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763. as well as any specific reference in the program write-up. Keywords: CELL NDIST END cell 33.30 67.89 39.79 90 107.33 90 Data line--- cell 33.30 67.89 39.79 90 107.33 90 ndist 10 Data line--- ndist 10 end Data line--- end Current Reciprocal Unit Cell = 0.03146 0.01473 0.02633 90.00019 72.67015 90.00019 10 shortest spacing in reciprocal lattice Reciprocal lattice vector and Length: 0 1 0 0.014730 Reciprocal lattice vector and Length: 0 0 1 0.026327 Reciprocal lattice vector and Length: 0 2 0 0.029459 Reciprocal lattice vector and Length: 0 1 -1 0.030167 Reciprocal lattice vector and Length: 0 1 1 0.030167 Reciprocal lattice vector and Length: 1 0 0 0.031458 Reciprocal lattice vector and Length: 1 0 -1 0.034487 Reciprocal lattice vector and Length: 1 -1 0 0.034736 Reciprocal lattice vector and Length: 1 1 0 0.034736 Reciprocal lattice vector and Length: 1 -1 -1 0.037501 Angles between Reciprocal lattice vector pairs h1 k1 l1 Length: h2 k2 l2 Length: Angle: 0 -1 0 0.014730 0 0 -1 0.026327 90.00 0 0 1 0.026327 90.00 0 -1 -1 0.030167 60.77 0 -1 1 0.030167 60.77 0 1 -1 0.030167 119.23 0 1 1 0.030167 119.23 1 0 0 0.031458 90.00 1 0 -1 0.034487 90.00 1 -1 0 0.034736 64.91 1 1 0 0.034736 115.09 1 -1 -1 0.037501 66.87 1 1 -1 0.037501 113.13 0 -2 -1 0.039509 41.79 0 1 0 0.014730 0 0 -1 0.026327 90.00 0 0 1 0.026327 90.00 0 -1 -1 0.030167 119.23 0 -1 1 0.030167 119.23 0 1 -1 0.030167 60.77 0 1 1 0.030167 60.77 1 0 0 0.031458 90.00 1 0 -1 0.034487 90.00 1 -1 0 0.034736 115.09 1 1 0 0.034736 64.91 1 -1 -1 0.037501 113.13 1 1 -1 0.037501 66.87 0 -2 -1 0.039509 138.21 0 0 -1 0.026327 0 -2 0 0.029459 90.00 0 2 0 0.029459 90.00 0 -1 -1 0.030167 29.23 0 -1 1 0.030167 150.77 0 1 -1 0.030167 29.23 0 1 1 0.030167 150.77 1 0 0 0.031458 107.33 1 0 -1 0.034487 60.55 1 -1 0 0.034736 105.65 1 1 0 0.034736 105.65 1 -1 -1 0.037501 63.12 1 1 -1 0.037501 63.12 0 -2 -1 0.039509 48.21 0 0 1 0.026327 0 -2 0 0.029459 90.00 0 2 0 0.029459 90.00 0 -1 -1 0.030167 150.77 0 -1 1 0.030167 29.23 0 1 -1 0.030167 150.77 0 1 1 0.030167 29.23 1 0 0 0.031458 72.67 1 0 -1 0.034487 119.45 1 -1 0 0.034736 74.35 1 1 0 0.034736 74.35 1 -1 -1 0.037501 116.88 1 1 -1 0.037501 116.88 0 -2 -1 0.039509 131.79 0 -2 0 0.029459 0 -1 -1 0.030167 60.77 0 -1 1 0.030167 60.77 0 1 -1 0.030167 119.23 0 1 1 0.030167 119.23 1 0 0 0.031458 90.00 1 0 -1 0.034487 90.00 1 -1 0 0.034736 64.91 1 1 0 0.034736 115.09 1 -1 -1 0.037501 66.87 1 1 -1 0.037501 113.13 0 -2 -1 0.039509 41.79 0 2 0 0.029459 0 -1 -1 0.030167 119.23 0 -1 1 0.030167 119.23 0 1 -1 0.030167 60.77 0 1 1 0.030167 60.77 1 0 0 0.031458 90.00 1 0 -1 0.034487 90.00 1 -1 0 0.034736 115.09 1 1 0 0.034736 64.91 1 -1 -1 0.037501 113.13 1 1 -1 0.037501 66.87 0 -2 -1 0.039509 138.21 0 -1 -1 0.030167 0 -1 1 0.030167 121.55 0 1 -1 0.030167 58.45 1 0 0 0.031458 105.07 1 0 -1 0.034487 64.59 1 -1 0 0.034736 91.63 1 1 0 0.034736 116.26 1 -1 -1 0.037501 54.10 1 1 -1 0.037501 78.30 0 -2 -1 0.039509 18.99 0 -1 1 0.030167 0 1 1 0.030167 58.45 1 0 0 0.031458 74.93 1 0 -1 0.034487 115.41 1 -1 0 0.034736 63.74 1 1 0 0.034736 88.37 1 -1 -1 0.037501 101.70 1 1 -1 0.037501 125.90 0 -2 -1 0.039509 102.56 0 1 -1 0.030167 0 1 1 0.030167 121.55 1 0 0 0.031458 105.07 Normal Termination of axissearch.for User: 0.33s System: 0.47s Elapsed: 13:26.00s