SHELXS Manual-Interaction
SHELXS Manual - Interaction with a SHELXS job
Two mechanisms are provided for interaction with a SHELXS job
which is already running. If the <ctrl-I> key combination is
hit, the job terminates
almost immediately (but without the loss of output buffers etc.
which can happen with <ctrl-C> etc.). If the <Esc>
key is hit during direct methods, the program does not generate
any further phase permutations but completes the current batch
of phase refinement and then procedes to E-Fourier recycling
etc. If the <Esc> key is hit during Patterson interpretation,
the program stops after completing the calculations for the current
superposition vector. Otherwise <Esc> has no effect. On
computer consoles with no <Esc> key, <F11> or <Ctrl-[>
usually have the same effect.
The second mechanism involves hitting the STOP button. This is identical to
hitting the <Esc> key. The output files are also 'flushed'
at regular intervals (if permitted by the operating system) so
that they can be examined whilst a batch job is running (if permitted).