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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!
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- [Gchemutils-main] File format for gcrystal, Jack Malmostoso, 2008/03/10
- Re: [Gchemutils-main] File format for gcrystal, Jean Bréfort, 2008/03/10
- Re: [Gchemutils-main] File format for gcrystal,
Jack Malmostoso <=
- Re: [Gchemutils-main] File format for gcrystal, Daniel Leidert, 2008/03/11
- Re: [Gchemutils-main] File format for gcrystal, Jack Malmostoso, 2008/03/15
- Re: [Gchemutils-main] File format for gcrystal, Jean Bréfort, 2008/03/15
- Re: [Gchemutils-main] File format for gcrystal, Jack Malmostoso, 2008/03/15
- Re: [Gchemutils-main] File format for gcrystal, Jean Bréfort, 2008/03/15