From: pieremanuele c. <pc...@ke...> - 2010-11-21 10:40:50
|
Dear Bob, Just a question. I got to work the procedure to append a new atom to structure with the command set appendNew FALSE; DATA "append"1 S 0.1 0.1 1 end "append" .... Now This procedure works fine for the first entry. Whenever i Try to enter a 2nd and 3rd atom with the same command line (of course different coordinates), the cell of the crystal structure disappear. How come ? Can you try? It would be nice entering atoms in different time not all in one shot as explained in the online guide *data "model example" 2 testing C 1 1 1 O 2 2 2 end "model example";show data* 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 ----------------------------------------------------------- |
From: Robert H. <ha...@st...> - 2010-11-21 13:41:28
|
Please try that with the latest Jmol at SVN and let me know if it's still a problem. See http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip I'm not seeing any problem there. Of course, you need data "append" not data "model" for appending.... Bob On Sun, Nov 21, 2010 at 4:40 AM, pieremanuele canepa <pc...@ke...>wrote: > Dear Bob, > > Just a question. I got to work the procedure to append a new atom to > structure with the command > set appendNew FALSE; DATA "append"1 S 0.1 0.1 1 end "append" .... Now > This procedure works fine for the first entry. Whenever i Try to enter a > 2nd and 3rd atom with the same command line (of course different > coordinates), the cell of the crystal structure disappear. How come ? Can > you try? > It would be nice entering atoms in different time not all in one shot as > explained in the online guide > > *data "model example" > 2 > testing > C 1 1 1 > O 2 2 2 > end "model example";show data* > > 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 > ----------------------------------------------------------- > > > > ------------------------------------------------------------------------------ > Beautiful is writing same markup. Internet Explorer 9 supports > standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. > Spend less time writing and rewriting code and more time creating great > experiences on the web. Be a part of the beta today > http://p.sf.net/sfu/msIE9-sfdev2dev > _______________________________________________ > 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 |
From: pieremanuele c. <pc...@ke...> - 2010-11-21 14:57:10
|
The string I used with your last release is set appendNew FALSE; DATA "append"1 Na 1 0.3 0 end "append" and then 1 Li 0.0 0.5 0.0 and the cell disappear. The cell is apparently set in 0. 0. 0.. It looks more a coordinate business. On 21 Nov 2010 13:43, "P.Canepa" <pc...@ke...> wrote: ------------------------------------------- From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] Sent: Sunday, November 21, 2010 1:41:19 PM To: jmo...@li... Subject: Re: [Jmol-users] problem adding more than atom sequentially. Auto forwarded by a Rule Please try that with the latest Jmol at SVN and let me know if it's still a problem. See http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip I'm not seeing any problem there. Of course, you need data "append" not data "model" for appending.... Bob On Sun, Nov 21, 2010 at 4:40 AM, pieremanuele canepa <pc...@ke...> wrote: > > > > Dear Bob, > > > > Just a question. I got to work the procedure to append a new atom to > structure wi... > > ------------------------------------------------------------------------------ > Beautiful is writing same markup. Internet Explorer 9 supports > standards for HTML5, CSS3, SVG 1.1, ECMAScript5, and DOM L2 & L3. > Spend less time writing and rewriting code and more time creating great > experiences on the web. Be a part of the beta today > http://p.sf.net/sfu/msIE9-sfdev2dev > _______________________________________________ > 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 |
From: Robert H. <ha...@st...> - 2010-11-21 22:53:09
|
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 |
From: Robert H. <ha...@st...> - 2010-11-23 11:46:02
|
Piero, this is fixed on the SVN. On Sun, Nov 21, 2010 at 4:52 PM, Robert Hanson <ha...@st...> 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 |
From: pieremanuele c. <pc...@ke...> - 2010-11-23 11:51:59
|
On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@ke...> wrote: > > ------------------------------------------- > From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] > Sent: Tuesday, November 23, 2010 11:45:54 AM > To: jmo...@li... > 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 <ha...@st...> 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...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- |
From: pieremanuele c. <pc...@ke...> - 2010-11-23 11:52:23
|
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...@ke...>wrote: > > > On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@ke...> wrote: > >> >> ------------------------------------------- >> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] >> Sent: Tuesday, November 23, 2010 11:45:54 AM >> To: jmo...@li... >> 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 <ha...@st...>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...@ke... > 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...@ke... mobile: +44 (0) 7772-9756456 ----------------------------------------------------------- |
From: Robert H. <ha...@st...> - 2010-11-23 12:31:55
|
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...@ke...>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...@ke...>wrote: > >> >> >> On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@ke...> wrote: >> >>> >>> ------------------------------------------- >>> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] >>> >>> Sent: Tuesday, November 23, 2010 11:45:54 AM >>> To: jmo...@li... >>> 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 <ha...@st...>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...@ke... >> 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...@ke... > mobile: +44 (0) 7772-9756456 > ----------------------------------------------------------- > > > > ------------------------------------------------------------------------------ > Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! > Tap into the largest installed PC base & get more eyes on your game by > optimizing for Intel(R) Graphics Technology. Get started today with the > Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. > http://p.sf.net/sfu/intelisp-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 |
From: pieremanuele c. <pc...@ke...> - 2010-11-23 16:39:38
|
Bob should it work like that with fractional? data "append" 1 Ne 0 0 5 try "append" unitcell [ 9.345846 , 9.345846 , 9.345846 , 55.22805 , 55.22805 , 55.22805 ] Thanks, Piero On Tue, Nov 23, 2010 at 12:34 PM, P.Canepa <pc...@ke...> wrote: > > ------------------------------------------- > From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] > Sent: Tuesday, November 23, 2010 12:31:46 PM > To: jmo...@li... > Subject: Re: [Jmol-users] FW: FW: problem adding more than atom > sequentially. > Auto forwarded by a Rule 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...@ke...>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...@ke...>wrote: >> >>> >>> >>> On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@ke...> wrote: >>> >>>> >>>> ------------------------------------------- >>>> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] >>>> >>>> Sent: Tuesday, November 23, 2010 11:45:54 AM >>>> To: jmo...@li... >>>> 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 <ha...@st...>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...@ke... >>> 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...@ke... >> mobile: +44 (0) 7772-9756456 >> ----------------------------------------------------------- >> >> >> >> ------------------------------------------------------------------------------ >> Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! >> Tap into the largest installed PC base & get more eyes on your game by >> optimizing for Intel(R) Graphics Technology. Get started today with the >> Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. >> http://p.sf.net/sfu/intelisp-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 ----------------------------------------------------------- |
From: Robert H. <ha...@st...> - 2010-11-23 17:25:27
|
That's not quite the syntax. For that you need LOAD DATA, not just DATA. But actually that won't work. What that does is to assume the 0 0 5 is Cartesian. First, you simple xyz format, not JME: data "append" 1 comment line Ne 0 0 5 end "append" like that, on separate lines. If you need to use fractional coordinates, you will need to do something like this: Var pt = point(0, 0, 5).xyz Var s = 'data "append"\n1\n\nNe ' + format("%12.3p",pt) + '\nend "append" ' script inline @s That .xyz there converts the fractional coordinates {0 0 5} to Cartesian. Bob On Tue, Nov 23, 2010 at 10:39 AM, pieremanuele canepa <pc...@ke...>wrote: > Bob > should it work like that with fractional? > > data "append" 1 Ne 0 0 5 try "append" unitcell [ 9.345846 , 9.345846 , > 9.345846 , 55.22805 , 55.22805 , 55.22805 ] > > Thanks, Piero > > On Tue, Nov 23, 2010 at 12:34 PM, P.Canepa <pc...@ke...> wrote: > >> >> ------------------------------------------- >> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU <SMTP%3AHANSONR@STOLAF.EDU>] >> Sent: Tuesday, November 23, 2010 12:31:46 PM >> To: jmo...@li... >> Subject: Re: [Jmol-users] FW: FW: problem adding more than atom >> sequentially. >> Auto forwarded by a Rule 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...@ke...>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...@ke...>wrote: >>> >>>> >>>> >>>> On Tue, Nov 23, 2010 at 11:46 AM, P.Canepa <pc...@ke...> wrote: >>>> >>>>> >>>>> ------------------------------------------- >>>>> From: Robert Hanson[SMTP:HANSONR@STOLAF.EDU<SMTP%3AHANSONR@STOLAF.EDU>] >>>>> >>>>> Sent: Tuesday, November 23, 2010 11:45:54 AM >>>>> To: jmo...@li... >>>>> 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 <ha...@st...>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...@ke... >>>> 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...@ke... >>> mobile: +44 (0) 7772-9756456 >>> ----------------------------------------------------------- >>> >>> >>> >>> ------------------------------------------------------------------------------ >>> Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! >>> Tap into the largest installed PC base & get more eyes on your game by >>> optimizing for Intel(R) Graphics Technology. Get started today with the >>> Intel(R) Software Partner Program. Five $500 cash prizes are up for >>> grabs. >>> http://p.sf.net/sfu/intelisp-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 > ----------------------------------------------------------- > > > > ------------------------------------------------------------------------------ > Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! > Tap into the largest installed PC base & get more eyes on your game by > optimizing for Intel(R) Graphics Technology. Get started today with the > Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. > http://p.sf.net/sfu/intelisp-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 |