Re: [Jmol-developers] (Fwd) 1 Jmol-developers moderator request(s) waiting

[Angel Herráez <angel.herraez@ua...>]

Oh, now I think I remember: Egon added me to see if I could so fix my current problems with 
my email server rejecting my own posts to the list. I have been unable to find a cure, other 
than adding my address explicitly as Cc to my own posts.

(In case you are interested, the issue is that my posts to the lists come as from my email 
address, but from the SF server. My Univ. server policy is now to bounce messaages that 
claim to come from their server domain. So I've had to uncheck the option to receive copied 
of my posts in the list config page. Otherwise I was being removed due to excessive 
bounces.)

Since it's the first time I receive one of this moderator messages, I was surprised. No 
problem.
Still I must find how to access the moderators page or whether I changed my password for 
that.

Thanks

[Jmol-developers] (Fwd) 1 Jmol-developers moderator request(s) waiting

[Angel Herráez <angel.herraez@ua...>]

Dear developers,

As far as I know I am not an admin or moderator for the jmol-dev list (and in fact I cannot 
access the link below with my password), however I have received this message.

Maybe it's helpful for you to know what's going on with auto generated maintenance emails.

------- Forwarded message follows -------
Subject:        	1 Jmol-developers moderator request(s) waiting
From:           	<jmol-developers-bounces@...>
To:             	<jmol-developers-owner@...>
Date sent:      	Wed, 11 Aug 2010 08:14:22 +0000

The Jmol-developers@... mailing list has 1
request(s) waiting for your consideration at:

	https://lists.sourceforge.net/lists/admindb/jmol-developers
	
Please attend to this at your earliest convenience.  This notice of
pending requests, if any, will be sent out daily.


Pending posts:
From: pc229@... on Tue Aug 10 14:15:09 2010
Subject: command isosurface lattice { x x x} doesn't properly work for all the crystallographic 
lattices
Cause: Message body is too big: 1334076 bytes with a limit of 80 KB

------- End of forwarded message -------

Re: [Jmol-developers] command isosurface lattice { x x x} doesn't properly work for all the crystallographic lattices

[Robert Hanson <hansonr@st...>]

Piero,

OK, I see. We were ignoring the line

DIRECT LATTICE VECTORS CARTESIAN COMPONENTS (ANGSTROM)

This line indicates the proper orientation of the primitive lattice vectors.


Done. Jmol 12.1.4 and Jmol 12.0.6.


Note that different models in a collection from a single Crystal09 file may
have different unit cell orientations. Only one model will correspond to the
one for the isosurface you are creating.

The Java Console will have a line such as:

oriented unit cell is in model 3
oriented unit cell is in model 8

when the orientation has been applied.

see http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip

Bob


On Tue, Aug 10, 2010 at 9:14 AM, P.Canepa <pc229@...> wrote:

>
> Dear Bob,
>
> I tried recently to use the function isosurface lattice {2 2 2} once having
> load up my periodic structures. This work well for cubic systems but not for
> hexagonal such as this in the zip file I attached you.
> Could you have a try? This fail on the romobhedral lattice too. In fact if
> you load the file hematite.out available on the repository online and you
> try to do isosurface slab unitcell VDW; isosurface lattice { 2 2 2} you
> won't see a proper fit between the replications generated.
> Thanks, Piero
>
> --
> Please consider the environment before printing this e-mail.
>
> Pieremanuele Canepa
> Room 104
> Functional Material Group
> School of Physical Sciences, Ingram Building,
> University of Kent, Canterbury, Kent,
> CT2 7NH
> United Kingdom
>
> e-mail: pc229@...
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
>



-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


If nature does not answer first what we want,
it is better to take what answer we get.

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900