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Re: [Gchemutils-main] File format for gcrystal


From: Jack Malmostoso
Subject: Re: [Gchemutils-main] File format for gcrystal
Date: Tue, 11 Mar 2008 07:20:55 +0100

On Mon, 2008-03-10 at 22:10 +0100, Jean Bréfort wrote:
> CIF files are not supported by 0.8.x. They will be (read only) in
> 0.10.x. In the 0.9.x series they are partially supported (still need to
> have a method to attribute a radius to each atom), but you'll need
> openbabel-2.2.0 (the package in debian experimental should be OK) and
> its support of space groups.

I understand.

> gcrystal is not currently supported in OpenBabel (I might write the code
> when time permits).

Could you give a brief overview of the supported format for input files
in gcrystal or point me to some documentation?

> I have no idea why the linker fails on
> gnome_authentication_manager_init, libgnomeui has this symbol:
> 
> objdump -T /usr/lib/libgnomeui-2.so|grep authentication_manager_init
> 000000000006ad30 g  DF .text  0000000000000136  Base        
> gnome_authentication_manager_init

Well, for one the code in programs/paint/main.cc does not include
libgnomeui.h, so I guess that must be a reason why it complains about
it. I have added the include:

#include <libgnomeui/libgnomeui.h>

but it still refuses to compile by saying that it conflicts with the C
binding, while this is C++. Is this related to the first lines:

extern "C" {
        void gnome_authentication_manager_init ();
}

Should it be extern "C++" or something similar?

As you might have understood I am not a programmer so I am going with
common sense, but I can't seem to figure it out.
I assume you can compile gnome-chemistry-utils-0.9.2 out of the box?

Thanks again!

-- 
This unit... must... survive.

 
 
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