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Re: [Jmol-users] FW: change cell parameters
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From: Robert H. <ha...@st...> - 2010-11-11 15:13:28
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The big question would be: What do you want to do about the atom coordinates? Move them based on the new unit cell parameters, or leave them where they are? Give me some more idea of what you are talking about. Bob On Thu, Nov 11, 2010 at 7:11 AM, pieremanuele canepa <pc...@ke...>wrote: > Yes. Imagine if we want to enter space into cell for certain reasons. It > would be interesting having this option. > I would like to introduce myself such option in Jmol if you teach me > something about how vectors and matrices works in Jmol. > I'm willing to have a thorough knowledge of Jmol, now I knows a experienced > a bit the part of the readers. > > Thanks, Piero > > On Thu, Nov 11, 2010 at 12:18 PM, P.Canepa <pc...@ke...> wrote: > >> >> ------------------------------------------- >> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] >> Sent: Thursday, November 11, 2010 12:18:00 PM >> To: jmo...@li... >> Subject: Re: [Jmol-users] change cell parameters >> Auto forwarded by a Rule Wow, do you mean totally redefining the >> underlying fractional coordinate system for the model? >> >> >> On Wed, Nov 10, 2010 at 5:21 PM, pieremanuele canepa <pc...@ke...>wrote: >> >>> Dear all, >>> >>> can anyone of you suggest me how I can modify cell parameters once loaded >>> a structure? >>> >>> 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: pc...@ke... >>> mobile: +44 (0) 7772-9756456 >>> ----------------------------------------------------------- >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> Centralized Desktop Delivery: Dell and VMware Reference Architecture >>> Simplifying enterprise desktop deployment and management using >>> Dell EqualLogic storage and VMware View: A highly scalable, end-to-end >>> client virtualization framework. Read more! >>> http://p.sf.net/sfu/dell-eql-dev2dev >>> _______________________________________________ >>> Jmol-users mailing list >>> Jmo...@li... >>> 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 >> > > > > -- > *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...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > > > > ------------------------------------------------------------------------------ > Centralized Desktop Delivery: Dell and VMware Reference Architecture > Simplifying enterprise desktop deployment and management using > Dell EqualLogic storage and VMware View: A highly scalable, end-to-end > client virtualization framework. Read more! > http://p.sf.net/sfu/dell-eql-dev2dev > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > 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 |