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Re: [Gchemutils-main] Problem importing old gcrystal files is not fixed
From: |
Jean Brefort |
Subject: |
Re: [Gchemutils-main] Problem importing old gcrystal files is not fixed by version 0.12.12 |
Date: |
Thu, 12 Jul 2012 17:24:11 +0200 |
That's weird, it does display the atoms there. Did you install things
correctly? Try 'ldd `which gcrystal` | grep gcu' to be certain you are
using the correct version of the library.
Regards,
Jean
Le jeudi 12 juillet 2012 à 16:28 +0200, Julien Cubizolles a écrit :
> I was finally able to build 0.12.12 but this version doens't fix the bug
> I noticed a few weeks ago : when loading "old" gcrystal files, the
> lattice is displayed but the atomes are not.
>
> Here is an example of such a file (ice structure)
>
> <?xml version="1.0"?>
> <crystal><generator>Gnome Crystal 0.7.2</generator><lattice>face-centered
> cubic</lattice><cell a="637.4" b="637.4" c="637.4" alpha="90" beta="90"
> gamma="90"/><size><position id="start" x="0" y="0"/><position id="end" x="1"
> y="1" z="1"/></size><atom element="O"><position x="0.25" y="0.25"
> z="0.25"/><radius type="covalent" value="68"/></atom><atom
> element="O"><position x="0" y="0"/><radius type="covalent"
> value="68"/></atom><atom element="H"><position x="0.089" y="0.089"
> z="0.089"/><radius type="covalent" value="30"/></atom><atom
> element="H"><position x="0.411" y="0.411" z="0.089"/><radius type="covalent"
> value="30"/></atom><atom element="H"><position x="0.339" y="0.161"
> z="0.339"/><radius type="covalent" value="30"/></atom><atom
> element="H"><position x="0.161" y="0.339" z="0.339"/><radius type="covalent"
> value="30"/></atom><line type="edges"><radius>10</radius><position id="end"
> x="0" y="0"/><color red="0.500008" green="0.916671" blue="1"/></line><line
> type="normal"><radius>20</radius><position id="start" x="0.5"
> y="0.5"/><position id="end" x="0.25" y="0.25" z="0.25"/><color red="0.500008"
> green="1" blue="0.500008"/></line><line
> type="normal"><radius>20</radius><position id="start" x="0.5" y="0"
> z="0.5"/><position id="end" x="0.25" y="0.25" z="0.25"/><color red="0.499992"
> green="1" blue="0.499992"/></line><line
> type="normal"><radius>20</radius><position id="start" x="0" y="0.5"
> z="0.5"/><position id="end" x="0.25" y="0.25" z="0.25"/><color red="0.499992"
> green="1" blue="0.499992"/></line><line
> type="normal"><radius>20</radius><position id="start" x="0" y="0"/><position
> id="end" x="0.25" y="0.25" z="0.25"/><color red="0.500008" green="1"
> blue="0.500008"/></line><line type="unique"><radius>10</radius><position
> id="start" x="0" y="0.5"/><position id="end" x="0.5" y="0.5"/><color
> red="0.501961" green="0.917647" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0.5"
> y="0"/><position id="end" x="0.5" y="0.5"/><color red="0.501945"
> green="0.917632" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0" y="0"
> z="0.5"/><position id="end" x="0.5" y="0" z="0.5"/><color red="0.50193"
> green="0.917617" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0" y="0"
> z="0.5"/><position id="end" x="0" y="0.5" z="0.5"/><color red="0.501915"
> green="0.917601" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0" y="0.5"
> z="0.5"/><position id="end" x="0.5" y="0.5" z="0.5"/><color red="0.5019"
> green="0.917586" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0.5" y="0"
> z="0.5"/><position id="end" x="0.5" y="0.5" z="0.5"/><color red="0.501884"
> green="0.917571" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0.5"
> y="0"/><position id="end" x="0.5" y="0" z="0.5"/><color red="0.501869"
> green="0.917556" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0"
> y="0.5"/><position id="end" x="0" y="0.5" z="0.5"/><color red="0.501854"
> green="0.91754" blue="1"/></line><line
> type="unique"><radius>10</radius><position id="start" x="0.5" y="0.5"
> z="0.5"/><position id="end" x="0.5" y="0.5"/><color red="0.501839"
> green="0.917525" blue="1"/></line><view><orientation psi="90" theta="20"
> phi="-15"/><fov>1</fov><color id="background" red="0.999283" green="0.999283"
> blue="0.999283"/></view></crystal>
>
>
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