It was due to the NWChem output using all lower case for the atom names.
Fixed for Jmol 11.9.10 and 11.8.12.
Bob
On Tue, Dec 1, 2009 at 1:22 PM, Robert Hanson <[email protected]> wrote:
> In this case, we probably just have a slightly different version of NWChem
> being used. Jorg, be sure to indicate that when you send me that file. Let's
> get this working.
>
> 2009/12/1 Angel Herráez <[email protected]>
>
> This happens at times with pdb files that have the wrong position of atom
>> IDs (typically,
>> shifted by one column position). Jmol does not identify the element, then
>> makes it unknown,
>> with is colored pink and sized as a smallish sphere.
>> Don't know how the NWChem specifies the element, but looks a similar
>> problem. The file
>> open parser is the likely culprit (well, it really is the file writer).
>>
>>
>>
>> ------------------------------------------------------------------------------
>> Join us December 9, 2009 for the Red Hat Virtual Experience,
>> a free event focused on virtualization and cloud computing.
>> Attend in-depth sessions from your desk. Your couch. Anywhere.
>> http://p.sf.net/sfu/redhat-sfdev2dev
>> _______________________________________________
>> Jmol-users mailing list
>> [email protected]
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>
>
>
> --
> 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
------------------------------------------------------------------------------
Join us December 9, 2009 for the Red Hat Virtual Experience,
a free event focused on virtualization and cloud computing.
Attend in-depth sessions from your desk. Your couch. Anywhere.
http://p.sf.net/sfu/redhat-sfdev2dev
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
