VMD-L Mailing List

From: Ben Chern (futuredream.1_at_gmail.com)
Date: Tue Apr 01 2008 - 20:26:36 CDT

Hello, Axel,

I'm not sure whether some plugin can do that.
What I want to do is to show the bond energy between atoms.
I think it should can be done using scripts.

But as the VMD is opensource, and it uses OpenGL and integrates with other
plugins, I am a freshman in OpenGL, so I want to follow the source code to
learn some programming skills.That's the reason why I prefer to compiling
the source code.
I am reading the programmer's guide on the web, I've found there are some
files, e.g. MeasureSurface.C, not included in the distributed source code,
so I think I've to use the CVS to retrieve the latest source code.But as my
last email said, I couldn't connect to the CVS server.

On Tue, Apr 1, 2008 at 7:06 PM, Axel Kohlmeyer <akohlmey_at_cmm.chem.upenn.edu>
wrote:

> On Tue, 1 Apr 2008, Ben Chern wrote:
>
> BC> Axel,
> BC> Thanks for you advice.
> BC> I'll try to compile the source under linux.
>
> ben,
>
> you still have not satisfied my curiosity!
> what are you planning to change, once you
> get VMD compiled? i am very curious to learn
> what it is you have in mind, that cannot be
> done in scripting, perhaps with the help of
> a little plugin...
>
> cheers,
> axel.
>
>
>
> BC>
> BC> On Tue, Apr 1, 2008 at 10:47 AM, Axel Kohlmeyer <
> akohlmey_at_cmm.chem.upenn.edu>
> BC> wrote:
> BC>
> BC> > On Tue, 1 Apr 2008, Ben Chern wrote:
> BC> >
> BC> > BC> I want to show some chemical properties, e.g. bond energy, but I
> would
> BC> > not
> BC> > BC> wish to do that using script.
> BC> >
> BC> > ben,
> BC> >
> BC> > "stupid question(TM)":
> BC> > how do you plan to get those properties "into" VMD?
> BC> > and how do you plan to visualize them, i.e. how are
> BC> > they supposed to look like?
> BC> >
> BC> > before starting on a long and painful process where
> BC> > you may at the end find out, that you won't get what
> BC> > you planned, it may actually be a very good idea to
> BC> > prototype what you want to do in scripting.
> BC> >
> BC> > this is how many of the features in VMD started (and
> BC> > quite a few still are).
> BC> >
> BC> > BC> I have tried the CVS, but the error still exists.
> BC> > BC> Would you please send me a tar file of the Windows build area
> for VMD?
> BC> >
> BC> > also, have you considered using a linux/unix machine
> BC> > for development? it is infinitely more convenient, the
> BC> > way VMD "wants" to be built.
> BC> >
> BC> > just a few (curious) thoughts,
> BC> >
> BC> >
> BC> > axel.
> BC> >
> BC> >
> BC> > BC> Thank you very much.
> BC> > BC>
> BC> >
> BC> > --
> BC> >
> =======================================================================
> BC> > Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu
> http://www.cmm.upenn.edu
> BC> > Center for Molecular Modeling -- University of Pennsylvania
> BC> > Department of Chemistry, 231 S.34th Street, Philadelphia, PA
> 19104-6323
> BC> > tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel:
> 1-215-898-5425
> BC> >
> =======================================================================
> BC> > If you make something idiot-proof, the universe creates a better
> idiot.
> BC> >
> BC>
> BC>
> BC>
> BC>
>
> --
> =======================================================================
> Axel Kohlmeyer akohlmey_at_cmm.chem.upenn.edu http://www.cmm.upenn.edu
> Center for Molecular Modeling -- University of Pennsylvania
> Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
> tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425
> =======================================================================
> If you make something idiot-proof, the universe creates a better idiot.
> 

-- 
Ben