rototrans


SYNOPSIS

rototrans  [x_trans=<amplitude in Å of the translation on the X axis>; defaults to 0.0]  \
    [y_trans=<amplitude in Å of the translation on the Y axis>; defaults to 0.0]  \
    [z_trans=<amplitude in Å of the translation on the Z axis>; defaults to 0.0]  \
    [x_rot=<amplitude in degrees of the rotation on the X axis>; defaults to 0.0]  \
    [y_rot=<amplitude in degrees of the rotation on the Y axis>; defaults to 0.0]  \
    [z_rot=<amplitude in degrees of the rotation on the Z axis>; defaults to 0.0]  \
    [object_list | id_list=<comma/hyphen separated list | ALL; defaults to ALL>]  \
    file=<filename>


DESCRIPTION

The rototrans keyword allows translating and/or rotating as a whole the currently loaded dataset (or a subset of objects selected through object_list or id_list parameters) by the amount specified by the x_trans, y_trans, z_trans, x_rot, y_rot, z_rot parameters. Rotation is carried out setting the origin at the centre of mass of the selected objects; the order in which rotations around the three cartesian axes are applied is X, Y, Z. The new coordinates are saved in the file specified through the file parameter.

EXAMPLES

#this command translates the currently loaded dataset by 2.0 Å in all the three Cartesian directions and also rotates it by 30° around the X axis, saving the new coordinates as file_rototrans.sdf
rototrans  x_rot=2.0  y_rot=2.0  z_rot=2.0 x_rot=30.0  file=file_rototrans.sdf

Sitemap
Print version
Contact
Mailing list


Last update:
May 31. 2015 20:39:42

Powered by
CMSimple - CMSimple-Styles


Get Open3DGRID at SourceForge.net. Fast, secure and Free Open Source software downloads



Would you like to align your
dataset? Try Open3DALIGN
Just wish to compute a MIF?
Try Open3DGRID