Am 30.09.15 um 22:51 schrieb Luciano Abriata:
> Thanks Angel. There is one thing I cannot yet solve, what if I refer to
> my atom of interest as residuenumber:chain.atom ?
>
> For example,
>
> 37:a.ca
>
> works as a selection command (atom CA in chain A in residue 3), but
> instead this or similar things:
>
> {37:a.ca}.temperature = somevalue
> do not seem to work. Any clue?
>
It does work for me. Depending on the settings, chain IDs are
case-sensitive. So if the actual chain ID is "A" you should try it in
uppercase:
{37:A.CA}.temperature = somevalue
You could also check if the atom selection expression is correct by
these commands:
selectionHalos on;
select 37:a.ca;
If no atom is selected afterwards, then the atom expression doesn't
match any atom. If an atom is selected, then you could try this:
{selected}.temperature = somevalue
Regards,
Rolf
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