Re: [Jmol-users] SELECT WITHIN

[Robert H. <ha...@st...>]

But that is a bug -- now fixed.

On Sat, Jan 2, 2010 at 2:45 PM, Stephen Hillier <S.H...@ma...>wrote:

>  Figured it out thanks,
>
> hkl should be in quotation marks
>
> e.g.
>
> select within(3.0, "hkl", {0 0 1})
>
> steve
>
>
>
>
>
> >>> "Stephen Hillier" <S.H...@ma...> 01-Jan-10 10:05 PM >>>
> I also have question about selecting
>
> after loading a range of unit cells from a CIF file I'm trying to figure
> out how to use 'select within..' to select some atoms near a plane e.g:
> but I get an error message and can't figure out what I'm doing wrong:
>
> $ load "" {3 3 1} packed
> $ select within(3.0, hkl, {0 0 1})
> script compiler ERROR: invalid expression token: hkl
> ----
>          select within(3.0,  <<<<
> $
>
> Jmol is version 11.8.15,
>
> Happy New Year, and thanks for any help,
>
> steve
>
>
>
> >>> Robert Hanson <ha...@st...> 01-Jan-10 7:32 PM >>>
> select atomno >= xxx and atomno <= yyyy
>
>
>
> On Wed, Dec 30, 2009 at 2:42 AM, Aya <ae...@ii...> wrote:
>
>> Hello,
>> I need to select a range of atoms using their atomno. When I use, for
>> example, select(*)[first atom no.][last atom no.], it seems to be
>> shifting the selection by some 14 atoms.
>>
>> When I hover over the atoms, they have the same atomno as the pdb, and
>> is still out of the specified range. Yes, both first and last atoms
>> are listed although not every atom within the range is listed. If
>> this is causing the problem, is there another way to select a range
>> by atom number - not residue.
>> Thank you,
>> Aya
>>
>>
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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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> Please note that the views expressed in this e-mail are those of the
> sender and do not necessarily represent the views of the Macaulay
> Institute. This email and any attachments are confidential and are
> intended solely for the use of the recipient(s) to whom they are
> addressed. If you are not the intended recipient, you should not read,
> copy, disclose or rely on any information contained in this e-mail, and
> we would ask you to contact the sender immediately and delete the email
> from your system. Thank you.
> The Macaulay Land Use Research Institute is a company limited by guarantee,
>
> registered in Scotland under company number 16190 and a registered Scottish
>
> charity, number SC011922. Registered office
> Macaulay Drive, Craigiebuckler, Aberdeen, AB15 8QH.
>
>
> ------------------------------------------------------------------------------
> This SF.Net email is sponsored by the Verizon Developer Community
> Take advantage of Verizon's best-in-class app development support
> A streamlined, 14 day to market process makes app distribution fast and
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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