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Re: [Gchemutils-main] File format for gcrystal
From: |
Jean Bréfort |
Subject: |
Re: [Gchemutils-main] File format for gcrystal |
Date: |
Mon, 10 Mar 2008 22:10:32 +0100 |
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.
gcrystal is not currently supported in OpenBabel (I might write the code
when time permits).
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
(this is on debian sid for amd64)
Le lundi 10 mars 2008 à 15:04 +0100, Jack Malmostoso a écrit :
> Hello there,
>
> I was trying to make gcrystal work (using version 0.8.6-2 in Debian Sid) and
> I was wondering what is the correct input file in order to visualize a
> structure.
> CIF files don't work, so I have tried converting them with Openbabel
> (version 2.2.0~beta4~r2299-1 from Debian Experimental), but I can't seem to
> find the correct format among the many proposed by babel.
> It seems that gcrystal looks for a .xml-like syntax, since it complains
> that:
>
> file:///home/jack/Desktop/gcrystal/licoo2.report:1: parser error : Start tag
> expected, '<' not found
>
> but babel has .xml in read only, so no luck there.
> The documentation does not seem to help, and changelogs speak about initial
> .cif support, but I can't seem to make it work.
>
> I am also trying to compile versin 0.9.2 but it fails with:
>
> /home/jack/Desktop/gcrystal/gnome-chemistry-utils-0.9.2/programs/paint/main.cc:67:
> undefined reference to `gnome_authentication_manager_init'
>
> and libgnomeui-dev is installed (version 2.20.1.1-1)
>
> Any help?
>
> Thank you so much!
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- [Gchemutils-main] File format for gcrystal, Jack Malmostoso, 2008/03/10
- Re: [Gchemutils-main] File format for gcrystal,
Jean Bréfort <=
- Re: [Gchemutils-main] File format for gcrystal, Jack Malmostoso, 2008/03/11
- 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