VMD-L Mailing List

From: Gumbart, JC (gumbart_at_physics.gatech.edu)
Date: Tue Feb 08 2022 - 17:32:58 CST

A work-around to the tkconsole issue is to use the actual vmd console instead. Most things will work the same without inducing lots of typos.

Best,
JC

On Feb 8, 2022, at 3:10 PM, Cesar Millan <pachequin_at_gmail.com<mailto:pachequin_at_gmail.com>> wrote:

Hi Mike,

I’m having similar issues on Mac osX Big Sur. You’re not alone.

Cesar

On Tue 8 Feb 2022 at 13:54 Mike McCallum <mmccallum_at_pacific.edu<mailto:mmccallum_at_pacific.edu>> wrote:
Giacomo, thanks for that.

As for the OS X/tkcon: does that mean I’m not alone?

Best
Mike


On Feb 8, 2022, at 11:11 AM, Giacomo Fiorin <giacomo.fiorin_at_gmail.com<mailto:giacomo.fiorin_at_gmail.com>> wrote:

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<mailto: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







--
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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César Millán Pacheco
Facultad de Farmacia
Universidad Autonoma del Estado de Morelos
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email: cmp_at_uaem.mx<mailto:cmp_at_uaem.mx>
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