Am 11.08.15 um 03:00 schrieb Eric Martz:
> For every pair of altloc ids, I want a list of atoms (selectable and
> counted) that are present in one but absent in the other, and vice
> versa. I will attempt to develop a Jmol function to do this. I will ask
> for your help if (when?) I get stuck.
>
Eric, I have one one quick suggestion.
Use two functions: the existing one and an outer function that builds
the pairs and collects the lists for each pair.
In the existing function you would just have to replace the 'select
result_list' command by 'return result_list'.
Then you could provide as 'atom_set' parameter a reduced altloc atom
list like this:
atom_set_reduced = select(x; {@atom_set}; x.altloc=altloc_id_1 or
x.altloc=altloc_id_2);
Regards,
Rolf
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