gchemutils-main
[Top][All Lists]
Advanced

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[Gchemutils-main] Problem importing old gcrystal files is not fixed by v


From: Julien Cubizolles
Subject: [Gchemutils-main] Problem importing old gcrystal files is not fixed by version 0.12.12
Date: Thu, 12 Jul 2012 16:28:00 +0200
User-agent: Gnus/5.130006 (Ma Gnus v0.6) Emacs/24.1.50 (gnu/linux)

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>




reply via email to

[Prev in Thread] Current Thread [Next in Thread]