NOMOVE TOGGLE

The NOMOVE Toggle is designed to give some global control over the process of getting a connected set (i.e. molecular species, with there centers within the unit cell range) from an input set of coordinates.

When active (indicated by a RED menu-item NoMove) coordinates are not transformed (moved) from their input positions. Rather, new symmetry related positions for atoms connected to the starting set are added. Unwanted results and side-effects may be obtained when the underlying connectivity assymption is false.

The NOMOVE option is ON by default for CIF and FDAT Input data, assuming a connected set.
If not connected, undesirable connectivity may result.

Set NOMOVE OFF when the input coordinate set does not form a connected set. This is the default (assumption) for non-CIF or non-FDAT data sets (i.e. shelxl.res files).

A more detailed control is available via the TRNS instructions.

24-Jan-2000. A.L.Spek