Hello,
I'm sure there's a really easy way to do this but as a new Jmol scripter
I'm struggling to see how! I need to write a Jmol script to select all
atoms with names ending in '?'. My input file is a CIF and the presence of
a trailing question mark in the atom name indicates a disordered atom,
e.g. 'C33?'.
The trouble is a '?' is used as a wildcard in Jmol scripting, and I cannot
find a way of escaping it to prevent it from matching any single
character.
I have successfully written a Javascript solution that uses the following:
var atomList = jmolGetPropertyAsArray("atomInfo", "all");
to get a list of atom objects and then uses the 'info' field to get at the
atom labels. However, due to some kind of race condition that I don't
fully understand yet, the script sometimes fails as Jmol hasn't fully
initialised when it runs so the atomInfo property is empty. This is not my
preferred solution anyway...
I'd much rather tackle this the easy way using a standard Jmol selection
expression. Is there any way I can do this please? Sorry if it's obvious.
Thanks in advance,
Ian
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