VMD-L Mailing List

From: Mike McCallum (mmccallum_at_PACIFIC.EDU)
Date: Tue Feb 08 2022 - 13:18:54 CST

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