VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Feb 08 2022 - 14:17:35 CST

Hi,
  Thanks for reporting your experiences. It is helpful to know how
many people (and on which OS) experience things like these.

I'm hopeful that Tk 8.6.12 reduces or cures some of these issues as well
as the fixes required for the newer MacOS Monterey OS rev. I will be making
new VMD builds with Tk 8.6.12 both for users of MacOS Monterey, and because
it should cure a hang that we have observed in multiseq, that is inside
of Tk itself, and not VMD or the multiseq code.

Best,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Feb 08, 2022 at 02:10:54PM -0600, Cesar Millan 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> 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>
> > 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>
> > 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
> >
> >
> >
> >
> >
> > --
>
> ############################
> César Millán Pacheco
> Facultad de Farmacia
> Universidad Autonoma del Estado de Morelos
> Tel: 777 3297020
> Fax: 777 3207040
> email: cmp_at_uaem.mx
> pachequin_at_gmail.com 

-- 
NIH Center for Macromolecular Modeling and Bioinformatics
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http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
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