On Wed, Dec 7, 2011 at 12:57 PM, Daniel Svozil <[email protected]>wrote:
> Dear Bob,
>
> thanks for your complimment! I can't edit Jmol's wiki, as Wiki does
> not send me a message to confirm my e-mail address (I was waiting for
> e-mail the whole day, that's why my response is delayed), and if my
> address is not authenticated I don't have permissions to change any
> wiki page. I didn't find any contact where I could report this
> problem.
>
> Regarding crystal contacts, mmView is primarily aimed as web-based
> viewer of the mmCIF format. All data shown in the application are
> taken from the mmCIF file (with the only exception of paper abstracts
> that are downloaded of the Pubmed). mmCIF does not store any
> information about crystal contacts, these would have to be calculated.
> Implementation of the functionality going beyond simple display of the
> mmCIF data is not on our todo list, however, we may add some
> analytical tools in the future. And thus we welcome any suggestions
> from the community.
>
>
Exactly my point. The Jmol applet you have there can calculate and
visualize those contacts as well as show the unit cell, symmetry-related
duplication within the cell, etc.
(As well as extract out of the CIF file any information whatsoever that is
in there, but that's another point unrelated to this one. You have decided
to do that on your server, so that's not something you would need Jmol to
do, I guess.)
Please let me know if you are interested in exploring that.
Bob
> Daniel
>
> On Tue, Dec 6, 2011 at 2:13 PM, Robert Hanson <[email protected]> wrote:
> > Very nice! Congratulations. Please to get your page added to
> http://wiki.jmol.org/index.php/Websites_Using_Jmol
> >
> > Suggestions: I would think the MMCIF crowd might be interested in seeing
> the results of crystal packing and contacts. Any thoughts on that?
> >
> > Bob Hanson
> >
> >
> > On Tue, Dec 6, 2011 at 5:36 AM, Daniel Svozil <[email protected]
> <mailto:[email protected]>> wrote:
> > Dear colleagues,
> >
> > We would like to announce the availability of mmView - the web-based
> > application which allows to comfortably explore the structural data of
> > biomacromolecules stored in the mmCIF (macromolecular Crystallographic
> > Information File) format. The mmView software system is primarily
> > intended for educational purposes but it can also serve as an
> > auxiliary tool for working with biomolecular structures.
> >
> > The mmView application is offered in two flavors: as a publicly
> > available web server http://ich.vscht.cz/projects/mmview/, and as an
> > open-source stand-alone application (available from
> > http://sourceforge.net/projects/mmview) that can be installed on the
> > user’s computer.
> >
> > Petr Cech and Daniel Svozil
> >
> > --
> > Daniel Svozil, PhD
> > Head of Laboratory of Informatics and Chemistry
> > Institute of Chemical Technology
> > Czech Republic
> >
> > phone: +420 220 444 391<tel:%2B420%20220%20444%20391>
> > http://ich.vscht.cz/~svozil<http://ich.vscht.cz/%7Esvozil>
> >
> >
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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
>
>
>
> --
> Daniel Svozil, PhD
> Head of Laboratory of Informatics and Chemistry
> Institute of Chemical Technology
> Czech Republic
>
> phone: +420 220 444 391
> http://ich.vscht.cz/~svozil
>
>
> ------------------------------------------------------------------------------
> Cloud Services Checklist: Pricing and Packaging Optimization
> This white paper is intended to serve as a reference, checklist and point
> of
> discussion for anyone considering optimizing the pricing and packaging
> model
> of a cloud services business. Read Now!
> http://www.accelacomm.com/jaw/sfnl/114/51491232/
> _______________________________________________
> 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
------------------------------------------------------------------------------
Cloud Services Checklist: Pricing and Packaging Optimization
This white paper is intended to serve as a reference, checklist and point of
discussion for anyone considering optimizing the pricing and packaging model
of a cloud services business. Read Now!
http://www.accelacomm.com/jaw/sfnl/114/51491232/
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