[ghemical-users] Ghemical freezes

[David Stephenson]

Dear Tommi,

I am using ghemical 2.1 on windows XP.
I think I'm beginning to see what the problem is.
If I open a selection window (say select element),and forget to cancel
the window before drawing, the selection window minimizes, but stays as
the active window. So the main window will not respond. I will see if
that is the only problem.
BTW the "save" option is also very difficult to use, as it does not come
up from the "file tab", but on a right click.

I am at the moment trying to draw the Zwitter ion form of EDTA and that
is giving some problems with the insertion of hydrogens. Also the
Oxygens of the COO- group have changed colour - is that normal.

David Stephenson



-----Original Message-----
From: thassine at messi.uku.fi [mailto:thassine at messi.uku.fi] 
Sent: Thursday, February 21, 2008 8:43 AM
To: David Stephenson
Cc: ghemical-users at bioinformatics.org
Subject: Re: [ghemical-users] Ghemical freezes

Quoting David  Stephenson <David.Stephenson at sta.uwi.edu>:

> There is still one big problem I am getting that is that the program
> "freezes". Is there anyway I can stop this from happening and when it
> does is there any way I can break out without losing everything that
has
> not been saved?

Hello,

can you specify the following:

1) what version are you using?
2) on which operating system?
3) what are the freezing operations?

My first thought about this is that most bugs will cause the program to
crash,
and bugs that freeze the program are less usual. Perhaps you have
started an
operation that just takes a long time? Some operations (the most used
ones that
I have had time to work on) in Ghemical are threaded so that the program
shows
how it is proceeding and allows user to cancel it. Such operations are
geometry
optimization and molecular dynamics (at least for the latest
linux-versions).
The rest of the operations are not threaded and the program just appears
"frozen" until the processing is done and the user interface and
graphics is
again updated and become responsive.

Regards,

Tommi