VMD-L Mailing List
From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Tue Feb 08 2022 - 13:11:58 CST
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Hi Mike, the first question requires rather specific developer expertise,
but the second one should be fairly straightforward:
llength [lsort -unique -integer [$sel get residue]]
On Tue, Feb 8, 2022 at 1:36 PM Mike McCallum <mmccallum_at_pacific.edu> wrote:
> I have two things that have been rattling around in my brain for a while
> to ask (unrelated):
>
> 1) In the current alpha of VMD for OS X (1.9.4a55, non-M1 version, running
> Big Sur 11.6), the keypresses in tkcon are often missed; it’s as if there
> is a set frequency for hitting a key (return, whatever), and if you miss
> it, the keystroke is missed. Causes a lot of typos and double <return>s.
> Is this just me, or are other people seeing this?
>
> (BTW Thanks to the team for the tcl/tk fixes in a55!)
>
> 2) Is there a simple way to turn a selection (which counts atoms) into a
> per-molecule/residue/etc selection without further manipulation? I feel
> like there must be and I just haven’t learned it. Let’s say I want to
> count water molecules from a regular selection like
> set sel1 [atomselect top “and same resname as (water within 5 of ion)”]
>
> To count water molecules, I’ll divide this by 3 (for a TIP3). But is there
> a way to just count the residues?
>
> Thanks
> Mike
>
> --
> C. Michael McCallum
> Professor
> Department of Chemistry, UOP
> mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209)
> 946-2607 fax
>
>
>
>
>
>
>
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