Piero,
I don't think that will be a problem. When you add atoms, unless you specify
the unit cell within the LOAD command:
LOAD DATA "append" ..... end "append" UNITCELL ....
Jmol will assume you are adding Cartesians. If you want to add atoms using
fractional coordinates with slab or polymer, we may have to do a little work
to get that right -- I did not test that. On option in that case would be to
convert those coordinates to Cartesians first using, for example:
Var xyz = point(a, b, c).xyz
and then using the coordinates of that point in your LOAD command.
Bob
On Tue, Nov 23, 2010 at 5:52 AM, pieremanuele canepa <pc...@kent.ac.uk>wrote:
> ok Good to know . Take your time.
> Remeber to consider SLABs, and POLYMERs. In Slab crystal set the z (old c)
> not in fractionals but in Cartesian. for polymer is the same for y and z
> (old b a, and c respectively).
> Many thanks, Piero
>
>
> On Tue, Nov 23, 2010 at 11:51 AM, pieremanuele canepa <pc...@kent.ac.uk>wrote:
>
>>
>>
>> On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@kent.ac.uk> wrote:
>>
>>>
>>> -------------------------------------------
>>> From: Robert Hanson[SMTP:hans...@stolaf.edu <smtp%3ahans...@stolaf.edu>]
>>>
>>> Sent: Tuesday, November 23, 2010 11:45:54 AM
>>> To: jmol-users@lists.sourceforge.net
>>> Subject: Re: [Jmol-users] FW: problem adding more than atom sequentially.
>>>
>>> Auto forwarded by a Rule Piero, this is fixed on the SVN.
>>>
>>> On Sun, Nov 21, 2010 at 4:52 PM, Robert Hanson <hans...@stolaf.edu>wrote:
>>>
>>>> Well, OK, I found the problem, at least. Jmol is not set up to merge new
>>>> atoms into a crystallographic model. Still working...
>>>>
>>>> Bob
>>>>
>>>>
>>>> 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
>>>>
>>>
>>>
>>>
>>> --
>>> 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
>>>
>>
>>
>>
>> --
>> *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: pc...@kent.ac.uk
>> mobile: +44 (0) 7772-9756456
>> -----------------------------------------------------------
>>
>>
>
>
> --
> *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: pc...@kent.ac.uk
> mobile: +44 (0) 7772-9756456
> -----------------------------------------------------------
>
>
>
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--
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
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