SklogWiki - User contributions [en]

Ammonia

2009-06-01T09:35:09Z

AngelHerraez: add refs for ammonia phase diagram

{{Stub-general}}
'''Ammonia''' (NH<sub>3</sub>)
{|name="userboxes" id="userboxes" style="margin-left: 1em; margin-bottom: 0.5em; width: 170px; border: {{{bordercolor|#99B3FF}}} solid 1px; background-color: {{{backgroundcolor|#FFFFFF}}}; {{{extra-css|}}}" align="right"
|-
|<center>
<jmol>
<jmolApplet>
<script>set spin X 10; spin on</script>
<size>200</size>
<color>lightgrey</color>
<wikiPageContents>Ammonia.pdb</wikiPageContents>
</jmolApplet>
</jmol></center>
|-
| <center>Ammonia</center>
|-
|}
[[category: Contains Jmol]]

==References==
#'''Equations of state and phase diagrams of ammonia'''. L. Glasser, Journal of Chemical Education, ''in the press'' (2009)
#'''Interactive 3D phase diagrams using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ http://biomodel.uah.es/Jmol/plots/phase-diagrams/]
#'''An optimised molecular model for ammonia'''. B. Eckl, J. Vrabec, and H. Hasse, [http://dx.doi.org/10.1080/00268970802112137 Molecular Physics '''106''': 1039-1046 (2008)]
[[category: models]]
[[category:Phase_diagrams]]

Phase diagrams of water

2009-06-01T09:28:37Z

AngelHerraez: uniform formatting

{{Stub-water}}
=Experimental=
====References====

#'''Interactive 3D phase diagrams using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#'''Water, water, everywhere: Phase diagrams of ordinary water substance'''. L. Glasser, [http://jchemed.chem.wisc.edu/Journal/Issues/2004/Mar/abs414.html Journal of Chemical Education '''81''': 414-418 (2004)]
#'''The phase diagram of water to 45,000 kg/cm<sup>2</sup>'''. P. W. Bridgman, [http://dx.doi.org/10.1063/1.1749971 Journal of Chemical Physics '''5''': 964-966 (1937)]

=Theoretical=
====References====
#'''Phase diagram of water from computer simulation'''. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, [http://dx.doi.org/10.1103/PhysRevLett.92.255701 Physical Review Letters '''92''': 255701 (2004)]
[[category:phase diagrams]]
[[category:water]]

Carbon dioxide

2009-06-01T09:27:36Z

AngelHerraez: uniform formatting

{{Stub-general}}

{|name="userboxes" id="userboxes" style="margin-left: 1em; margin-bottom: 0.5em; width: 170px; border: {{{bordercolor|#99B3FF}}} solid 1px; background-color: {{{backgroundcolor|#FFFFFF}}}; {{{extra-css|}}}" align="right"
|-
|<center>
<jmol>
<jmolApplet>
<script>set spin X 10; spin on</script>
<size>200</size>
<color>lightgrey</color>
<wikiPageContents>carbon_dioxide.pdb</wikiPageContents>
</jmolApplet>
</jmol></center>
|-
| <center>Carbon dioxide</center>
|-
|}
[[category: Contains Jmol]]

==References==
#'''Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide'''. B. M. Mognetti, M. Oettel, P. Virnau, L. Yelash, and K. Binder, [http://dx.doi.org/10.1080/00268970902755025 Molecular Physics '''107''': 331-341 (2009)]
#'''Interactive 3D phase diagrams using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#'''Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide'''. B. M. Mognetti, L. Yelash, P. Virnau, W. Paul, K. Binder, M. Müller, and L. G. MacDowell, [http://dx.doi.org/10.1063/1.2837291 Journal of Chemical Physics '''128''': 104501 (2008)]
#'''An optimized molecular potential for carbon dioxide'''. Z. Zhang and Z. Duan, [http://dx.doi.org/10.1063/1.1924700 Journal of Chemical Physics '''122''': 214507 (2005)]
#'''Equations of state and phase diagrams'''. L. Glasser, [http://www.jce.divched.org/Journal/Issues/2002/Jul/abs874.html Journal of Chemical Education '''79''': 874 (2002)]
#'''The carbon dioxide dimer'''. R. Eggenberger, S. Gerber, and H. Huber, [http://dx.doi.org/10.1080/00268979100100341 Molecular Physics '''72''': 433-439 (1991)]
#'''Interaction site models for carbon dioxide'''. C. S. Murthy, K. Singer, and I. R. McDonald, [http://dx.doi.org/10.1080/00268978100102331 Molecular Physics '''44''': 135-143 (1981)]
[[category: models]]
[[category:phase diagrams]]

Phase diagrams of water

2009-06-01T09:23:55Z

AngelHerraez: /* References */

{{Stub-water}}
=Experimental=
====References====

#'''Interactive 3D Phase Diagrams Using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#'''Water, Water, Everywhere: Phase Diagrams of Ordinary Water Substance'''. L. Glasser, [http://jchemed.chem.wisc.edu/Journal/Issues/2004/Mar/abs414.html Journal of Chemical Education '''81''': 414-418 (2004)]
#'''The Phase Diagram of Water to 45,000 kg/cm<sup>2</sup>'''. P. W. Bridgman, [http://dx.doi.org/10.1063/1.1749971 Journal of Chemical Physics '''5''': 964-966 (1937)]

=Theoretical=
====References====
#'''Phase Diagram of Water from Computer Simulation'''. E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell, [http://dx.doi.org/10.1103/PhysRevLett.92.255701 Physical Review Letters '''92''': 255701 (2004)]
[[category:phase diagrams]]
[[category:water]]

Phase diagrams of water

2009-06-01T09:22:43Z

AngelHerraez: /* References */

{{Stub-water}}
=Experimental=
====References====

#'''Interactive 3D Phase Diagrams Using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#'''Water, Water, Everywhere: Phase Diagrams of Ordinary Water Substance'''. L. Glasser, [http://jchemed.chem.wisc.edu/Journal/Issues/2004/Mar/abs414.html Journal of Chemical Education '''81''': 414-418 (2004)]
#'''The Phase Diagram of Water to 45,000 kg/cm<sup>2</sup>'''. P. W. Bridgman, [http://dx.doi.org/10.1063/1.1749971 Journal of Chemical Physics '''5''': 964-966 (1937)]

=Theoretical=
====References====
#[http://dx.doi.org/10.1103/PhysRevLett.92.255701 E. Sanz, C. Vega, J. L. F. Abascal, and L. G. MacDowell "Phase Diagram of Water from Computer Simulation", Physical Review Letters '''92''' 255701 (2004)]
[[category:phase diagrams]]
[[category:water]]

Carbon dioxide

2009-06-01T09:22:39Z

AngelHerraez: /* References */

{{Stub-general}}

{|name="userboxes" id="userboxes" style="margin-left: 1em; margin-bottom: 0.5em; width: 170px; border: {{{bordercolor|#99B3FF}}} solid 1px; background-color: {{{backgroundcolor|#FFFFFF}}}; {{{extra-css|}}}" align="right"
|-
|<center>
<jmol>
<jmolApplet>
<script>set spin X 10; spin on</script>
<size>200</size>
<color>lightgrey</color>
<wikiPageContents>carbon_dioxide.pdb</wikiPageContents>
</jmolApplet>
</jmol></center>
|-
| <center>Carbon dioxide</center>
|-
|}
[[category: Contains Jmol]]

==References==
#'''Structure and pair correlations of a simple coarse grained model for supercritical carbon dioxide'''. B. M. Mognetti, M. Oettel, P. Virnau, L. Yelash, and K. Binder, [http://dx.doi.org/10.1080/00268970902755025 Molecular Physics '''107''': 331-341 (2009)]
#'''Interactive 3D Phase Diagrams Using Jmol'''. A. Herráez, R. M. Hanson, and L. Glasser, [http://jchemed.chem.wisc.edu/journal/issues/2009/May/abs566.html Journal of Chemical Education '''86''': 566 (2009)] and [http://biomodel.uah.es/Jmol/plots/phase-diagrams/ website]
#'''Efficient prediction of thermodynamic properties of quadrupolar fluids from simulation of a coarse-grained model: The case of carbon dioxide'''. B. M. Mognetti, L. Yelash, P. Virnau, W. Paul, K. Binder, M. Müller, and L. G. MacDowell, [http://dx.doi.org/10.1063/1.2837291 Journal of Chemical Physics '''128''': 104501 (2008)]
#'''An optimized molecular potential for carbon dioxide'''. Z. Zhang and Z. Duan, [http://dx.doi.org/10.1063/1.1924700 Journal of Chemical Physics '''122''': 214507 (2005)]
#'''Equations of State and Phase Diagrams'''. L. Glasser, [http://www.jce.divched.org/Journal/Issues/2002/Jul/abs874.html Journal of Chemical Education '''79''': 874 (2002)]
#'''The carbon dioxide dimer'''. R. Eggenberger, S. Gerber, and H. Huber, [http://dx.doi.org/10.1080/00268979100100341 Molecular Physics '''72''': 433-439 (1991)]
#'''Interaction site models for carbon dioxide'''. C. S. Murthy, K. Singer, and I. R. McDonald, [http://dx.doi.org/10.1080/00268978100102331 Molecular Physics '''44''': 135-143 (1981)]
[[category: models]]

User:AngelHerraez/Sandbox3

2009-05-26T13:16:36Z

AngelHerraez: page layout

== Use of Chembox (mini version) ==
{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure
| 3DStruct = Cyclohexane.pdb
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}
This reproduces (part of) the Chembox_Structure template at Wikipedia.

Purpose: proof of concept. The '3D structure' row is a new addition.

<br clear="all" />

== Possible enhancements ==
{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure 2
| 3DStruct = Cyclohexane.pdb
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}
* Warning of opening in pop-up window.

Template:Chembox 3DStruct 2

2009-05-26T13:14:16Z

AngelHerraez: possible enhancements

<includeonly>| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}}</text>
</jmolAppletLink>
}} <span style="font-size:0.75em;">(pop-up window)</span>
|-</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox 3DStruct 2

2009-05-26T13:13:20Z

AngelHerraez: possible enhancements

<includeonly>| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}}</text>
</jmolAppletLink>
}} <span style="font-size:0.75em;">(opens in a pop-up window)</span>
|-</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox 3DStruct 2

2009-05-26T13:12:12Z

AngelHerraez: possible enhancements

<includeonly>| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}}</text>
</jmolAppletLink>
}}(opens in a pop-up window)
|-</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

User:AngelHerraez/Sandbox3

2009-05-26T13:09:08Z

AngelHerraez: possible enhancements

== Use of Chembox (mini version) ==
This reproduces (part of) the Chembox_Structure template at Wikipedia.

Purpose: proof of concept. The '3D structure' row is a new addition.

{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure
| 3DStruct = Cyclohexane.pdb
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}

== Possible enhancements ==

{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure 2
| 3DStruct = Cyclohexane.pdb
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}

Template:Chembox 3DStruct 2

2009-05-26T13:08:46Z

AngelHerraez: possible enhancements

<includeonly>| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}} (opens in a pop-up window)</text>
</jmolAppletLink>
}}
|-</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure 2

2009-05-26T13:07:38Z

AngelHerraez: possible enhancements

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! {{Chembox header}} {{!}} Structure
{{!}}-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct_2 }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

User:AngelHerraez/Sandbox3

2009-05-26T12:58:39Z

AngelHerraez: comment

User:AngelHerraez/Sandbox1

2009-05-26T09:50:40Z

AngelHerraez: note about template Jmol_general2 deleted

This is the method currently used at SklogWiki to insert a JmolApplet:
<nowiki><jmol>
<jmolApplet>
<script>set spin X 10; spin on</script>
<size>200</size>
<color>lightgrey</color>
<wikiPageContents>Water.pdb</wikiPageContents>
</jmolApplet>
</jmol></nowiki>

<jmol>
<jmolApplet>
<script>set spin X 10; spin on</script>
<size>200</size>
<color>lightgrey</color>
<wikiPageContents>Water.pdb</wikiPageContents>
</jmolApplet>
</jmol>

That is OK, but is a little hard on the users, who need to know the markup and insert it properly into the page.

A better solution is to have a template that inserts the code and uses a more friendly format like
<nowiki>{{Jmol_general|File.etc|Caption}}</nowiki>

But that was failing to work due to the parameter inserted inside the Jmol markup.

I have found a method to circumvent that using the <nowiki>#tag</nowiki> syntax. Let's try that:
<nowiki>{{Jmol_general2|Water.pdb|A model of water}}
{{Jmol_general2|Ethylene_glycol.pdb|Ethylene glycol is a common antifreeze product}}</nowiki>
{{Jmol_general2|Water.pdb|A model of water}}
{{Jmol_general2|Ethylene_glycol.pdb|Ethylene glycol is a common antifreeze product}} (this template is now obsolete and has been deleted)

<div style="clear:both">
The fix is now included in the standard template, <nowiki>{{Jmol_general}}/nowiki>:
<nowiki>{{Jmol_general|Water.pdb|A model of water}}</nowiki>
{{Jmol_general|Water.pdb|A model of water}}
</div>

User:AngelHerraez/Sandbox2

2009-05-25T23:11:38Z

AngelHerraez: use redirected template

== Simple use of Jmol_Link_Popup template ==
This template puts a link with the molecule pagename leading to a pop-up window with Jmol. The molecule should be a model file uploaded as wiki page. This code:
<nowiki>{{Jmol Link Popup|Water.pdb}}</nowiki>
renders as:
{{Jmol Link Popup|Water.pdb}}

Another example:
<nowiki>{{Jmol Link Popup|Benzene.pdb}}</nowiki>
renders as:
{{Jmol Link Popup|Benzene.pdb}}

Works OK!

Template:Chembox 3DStruct Simple

2009-05-25T23:06:26Z

AngelHerraez: Template:Chembox 3DStruct Simple moved to Template:Jmol Link Popup: This is a derivative, simpler, template that has no functionality in Chembox. May be of general interest for any pages.

#REDIRECT [[Template:Jmol Link Popup]]

Template:Jmol Link Popup

2009-05-25T23:06:26Z

3D structure:
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{1|}}}</wikiPageContents>
<text>{{{1|}}}</text>
</jmolAppletLink>
}}

Template:Chembox 3DStruct

2009-05-25T23:04:05Z

AngelHerraez: add to category

<includeonly>| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}}</text>
</jmolAppletLink>
}}
|-</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Category:Chembox templates

2009-05-25T23:03:06Z

AngelHerraez: explain purpose of these templates

These are templates copied (with minor modifications in some cases) from those used at Wikipedia for creating the 'Chemical Infobox'. The main template is Chembox_new (here simplified to Chembox_mini), which calls all the others and also the ! template.

Please note that all these templates are hard to edit properly. WP classifies them as 'intricate' or 'esoteric' and has them protected to avoid edits. Since they are here for testing functionality in inserting Jmol applets, no protection is applied.

User:AngelHerraez

2009-05-25T22:55:35Z

AngelHerraez: /* Test pages for Jmol */

=Personal page for Angel Herráez=

You can read about me at [http://wiki.jmol.org:81/index.php/User:AngelHerraez my page in Jmol Wiki].

I'm interested in implementing Jmol in MediaWiki-based wikis, like Wikipedia.
I will be doing some testing here at SklogWiki.

== Test pages for Jmol ==
* [[User:AngelHerraez/Sandbox1]] Successful update of the Jmol_general template in SklogWiki so that it is easy to insert JmolApplets without writing the extension markup.
* [[User:AngelHerraez/Sandbox2]] Test of a simple template for putting a link (with the molecule's pagename) that opens Jmol in a pop-up window.
* [[User:AngelHerraez/Sandbox3]] Test of a portion of the Chembox template used at Wikipedia. Inserts a table with properties, including a link to the 3D model in a pop-up.

Template:Chembox 3DStruct

2009-05-25T22:50:51Z

AngelHerraez: fix parameter

| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{value|}}}</wikiPageContents>
<text>{{{value|}}}</text>
</jmolAppletLink>
}}
|-

User:AngelHerraez/Sandbox3

2009-05-25T22:49:13Z

AngelHerraez: change to existing molecule

== Use of Chembox (mini version) ==
This reproduces (part of) the Chembox_Structure template at Wikipedia.

{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure
| 3DStruct = Cyclohexane.pdb
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}

Template:Chembox 3DStruct

2009-05-25T22:48:43Z

AngelHerraez: must use wikiPageContents and variable parameter

| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{1|}}}</wikiPageContents>
<text>{{{1|}}}</text>
</jmolAppletLink>
}}
|-

User:AngelHerraez/Sandbox3

2009-05-25T22:45:52Z

AngelHerraez: testing the Chembox template

== Use of Chembox (mini version) ==
This reproduces (part of) the Chembox_Structure template at Wikipedia.

{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure
| 3DStruct = Caffeine.mol
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}

Template:Chembox MolShape

2009-05-25T22:45:26Z

AngelHerraez:

| [http://en.wikipedia.org/wiki/Molecular_shape Molecular shape]
| {{{value}}}
|-

Template:Chembox 3DStruct

2009-05-25T22:40:05Z

AngelHerraez: this should be adequate for integration into Chembox

| 3D structure
|
{{#tag:jmol
|<jmolAppletLink>
<uploadedFileContents>Caffeine.mol</uploadedFileContents>
<text>Caffeine.mol</text>
</jmolAppletLink>
}}
|-

User:AngelHerraez/Sandbox2

2009-05-25T22:38:20Z

AngelHerraez: use new template variant

== Simple use of Chembox_3DStruct ==
A use of the Chembox_3DStruct_Simple template that puts a link with the molecule name leading to a pop-up window with Jmol. <s>The molecule should be uploaded as a file.</s> File types not allowed in this Wiki.

Let's change the template so that it uses model files uploaded as wiki pages. This code:
<nowiki>{{Chembox 3DStruct Simple|Water.pdb}}</nowiki>
renders so:
{{Chembox 3DStruct Simple|Water.pdb}}

Another example:
<nowiki>{{Chembox 3DStruct Simple|Benzene.pdb}}</nowiki>
renders so:
{{Chembox 3DStruct Simple|Benzene.pdb}}

Works OK!

Template:Jmol Link Popup

2009-05-25T22:36:39Z

AngelHerraez: bring here content from Chembox_3DStruct that is not proper for Chembox

3D structure:
{{#tag:jmol
|<jmolAppletLink>
<wikiPageContents>{{{1|}}}</wikiPageContents>
<text>{{{1|}}}</text>
</jmolAppletLink>
}}

Template:Chembox MolShape

2009-05-25T22:34:17Z

AngelHerraez: testing the Chembox template

| [[Molecular geometry|Molecular shape]]
| {{{value}}}
|-

Template:!

2009-05-25T22:31:36Z

AngelHerraez: need the ! template for some of the Chembox (sub)templates

Template:Chembox Structure

2009-05-25T22:29:36Z

AngelHerraez: need the ! template

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! {{Chembox header}} {{!}} Structure
{{!}}-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:27:52Z

AngelHerraez: Undo revision 8306 by AngelHerraez (Talk)

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|| {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:27:27Z

AngelHerraez:

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation}}}|! {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:24:16Z

AngelHerraez: Undo revision 8304 by AngelHerraez (Talk)

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|| {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:23:47Z

AngelHerraez:

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}| !{{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

User:AngelHerraez/Sandbox2

2009-05-25T22:23:06Z

AngelHerraez: testing the Chembox template

== Simple use of Chembox_3DStruct ==
A use of the Chembox_3DStruct template that puts a link with the molecule name leading to a pop-up window with Jmol. <s>The molecule should be uploaded as a file.</s> File types not allowed in this Wiki.

Let's change the template so that it uses model files uploaded as wiki pages. This code:
<nowiki>{{Chembox 3DStruct|Water.pdb}}</nowiki>
renders so:
{{Chembox 3DStruct|Water.pdb}}

Another example:
<nowiki>{{Chembox 3DStruct|Benzene.pdb}}</nowiki>
renders so:
{{Chembox 3DStruct|Benzene.pdb}}

Works OK!

== Use of Chembox (mini version) ==
This reproduces (part of) the Chembox_Structure template at Wikipedia.

{| class="toccolours" border="1" width="{{{BoxWidth|250px}}}" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
{{Chembox Structure
| 3DStruct = Caffeine.mol
| CrystalStruct =
| Coordination =
| MolShape = mostly planar
}}
|}

Template:Chembox Structure

2009-05-25T22:22:37Z

AngelHerraez:

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|| {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:17:02Z

AngelHerraez:

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox header

2009-05-25T22:16:34Z

AngelHerraez:

style="background: #F8EABA; text-align: center;" colspan="2"<noinclude>
[[Category:Chembox templates|header]]
</noinclude>

Template:Chembox header

2009-05-25T22:15:11Z

AngelHerraez:

<noinclude>
[[Category:Chembox templates|header]]
</noinclude>

Template:Chembox Structure

2009-05-25T22:12:24Z

AngelHerraez:

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox image sbs

2009-05-25T21:45:52Z

AngelHerraez: simplify

<includeonly>{{#if:{{{par_valueL|}}}| | [[Image:{{{par_valueL}}}|{{{par_sizeL}}}|center|{{{par_nameL}}}]]
{{#if:{{{par_valueR|}}}| | [[Image:{{{par_valueR}}}|{{{par_sizeR}}}|center|{{{par_nameR}}}]] }} }}
|-</includeonly><noinclude>
{{DEFAULTSORT:{{PAGENAME}}}}
[[Category:Chembox templates|{{PAGENAME}}]]
</noinclude>

Template:Chembox image sbs

2009-05-25T21:44:43Z

AngelHerraez: simplify

<includeonly>{{#if:{{{par_valueL|}}}| | [[Image:{{{par_valueL}}}|{{{par_sizeL}}}|center|{{{par_nameL}}}]]
{{#if:{{{par_valueR|}}}| | [[Image:{{{par_valueR}}}|{{{par_sizeR}}}|center|{{{par_nameR}}}]] }} }}
|-</includeonly><noinclude>
{{esoteric}}
{{DEFAULTSORT:{{PAGENAME}}}}
[[Category:Chembox templates|{{PAGENAME}}]]
</noinclude>

Template:Chembox image sbs

2009-05-25T21:43:58Z

AngelHerraez: testing the Chembox template

<includeonly>{{#if:{{{par_valueL|}}}| {{!}} [[Image:{{{par_valueL}}}|{{{par_sizeL}}}|center|{{{par_nameL}}}]]
{{#if:{{{par_valueR|}}}| {{!}} [[Image:{{{par_valueR}}}|{{{par_sizeR}}}|center|{{{par_nameR}}}]] }} }}
|-</includeonly><noinclude>
{{esoteric}}
{{DEFAULTSORT:{{PAGENAME}}}}
[[Category:Chembox templates|{{PAGENAME}}]]
</noinclude>

Template:Chembox header

2009-05-25T21:35:44Z

AngelHerraez: testing the Chembox template

style="background: #F8EABA; text-align: center;" colspan="2"<noinclude>
[[Category:Chembox templates|header]]
</noinclude>

Template:Chembox Structure

2009-05-25T21:33:45Z

AngelHerraez: simplify

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! {{Chembox header}} | Structure
|-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>

Template:Chembox Identifiers

2009-05-25T21:33:09Z

AngelHerraez: simplify

<includeonly>{{#if:{{{Abbreviations|}}}{{{CASNo|}}}{{{CASNos|}}}{{{CASOther|}}}{{{ChemSpiderID|}}}{{{SMILES|}}}{{{UNNumber|}}}{{{InChI|}}}{{{DispSMILES|}}}{{{DispInChI|}}}{{{FullSMILES|}}}{{{FullInChI|}}}{{{DrugBank|}}}{{{EINECS|}}}{{{EC-number|}}}{{{EINECSCASNO|}}}{{{PubChem|}}}{{{RTECS|}}}{{{KEGG|}}}{{{MeSHName|}}}{{{ATCCode|}}}{{{ATCCode_prefix|}}}{{{ATCCode_suffix|}}}{{{ChEBI|}}}{{{Beilstein|}}}{{{Gmelin|}}}{{{3DMet|}}}{{{ATC_Supplemental|}}}|! {{Chembox header}} | Identifiers
|-
{{Chembox entry|par_name={{#if:{{{Abbreviations|}}}|Abbreviations }} |par_value={{#if:{{{Abbreviations|}}}|{{{Abbreviations}}} }} }}
{{Chembox CASNo|value={{#if:{{{CASNo|}}}|{{{CASNo}}} }} |value_ref={{#if:{{{CASNo_Ref|}}}|{{{CASNo_Ref}}} }} |value2={{#if:{{{CASNos|}}}|{{{CASNos}}} }}|value3={{#if:{{{CASOther|}}}|{{{CASOther}}} }} }}
{{Chembox entry|par_name={{#if:{{{PubChem|}}}|PubChem }} |par_value={{#if:{{{PubChem|}}}|{{{PubChem}}} }} }}
{{Chembox entry|par_name={{#if:{{{EINECS|}}}|EINECS }} |par_value={{#if:{{{EINECS|}}}|{{{EINECS}}} }} }}
{{Chembox entry|par_name={{#if:{{{EC-number|}}}|EC-number }} |par_value={{#if:{{{EC-number|}}}|{{{EC-number}}} }} }}
{{Chembox entry|par_name={{#if:{{{EINECSCASNO|}}}|EINECSCASNO }} |par_value={{#if:{{{EINECSCASNO|}}}|{{{EINECSCASNO}}} }} }}
{{Chembox entry|par_name={{#if:{{{UNNumber|}}}|UNNumber }} |par_value={{#if:{{{UNNumber|}}}|{{{UNNumber}}} }} }}
{{Chembox entry|par_name={{#if:{{{DrugBank|}}}|DrugBank }} |par_value={{#if:{{{DrugBank|}}}|{{{DrugBank}}} }} }}
{{Chembox entry|par_name={{#if:{{{KEGG|}}}|KEGG }} |par_value={{#if:{{{KEGG|}}}|{{{KEGG}}} }} }}
{{Chembox entry|par_name={{#if:{{{MeSHName|}}}|MeSHName }} |par_value={{#if:{{{MeSHName|}}}|{{{MeSHName}}} }} }}
{{Chembox entry|par_name={{#if:{{{ChEBI|}}}|ChEBI }} |par_value={{#if:{{{ChEBI|}}}|{{{ChEBI}}} }} }}
{{Chembox entry|par_name={{#if:{{{RTECS|}}}|RTECS }} |par_value={{#if:{{{RTECS|}}}|{{{RTECS}}} }} }}
{{Chembox entry|par_name={{#if:{{{ATCCode|}}}{{{ATCCode_prefix|}}}{{{ATCCode_suffix|}}}{{{ATC_Supplemental|}}}|ATCCode }} | par_value={{#if:{{{ATCCode|}}}|{{{ATCCode}}} }} | par_value1={{#if:{{{ATCCode_prefix|}}}|{{{ATCCode_prefix}}} }} | par_value2={{#if:{{{ATCCode_suffix|}}}|{{{ATCCode_suffix}}} }} | par_value3={{#if:{{{ATC_Supplemental|}}}|{{{ATC_Supplemental}}} }} }}
{{Chembox entry|par_name={{#if:{{{SMILES|}}}{{{FullSMILES|}}}{{{DispSMILES|}}}|SMILES }} |par_value={{#if:{{{SMILES|}}}|{{{SMILES}}} }} |par_value2={{#if:{{{FullSMILES|}}}|{{{FullSMILES}}} }}|par_value3={{#if:{{{DispSMILES|}}}|{{{DispSMILES}}} }} }}
{{Chembox entry|par_name={{#if:{{{InChI|}}}{{{FullInChI|}}}{{{DispInChI|}}}|InChI }} |par_value={{#if:{{{InChI|}}}|{{{InChI}}} }} |par_value2={{#if:{{{FullInChI|}}}|{{{FullInChI}}} }}|par_value3={{#if:{{{DispInChI|}}}|{{{DispInChI}}} }} }}
{{Chembox entry|par_name={{#if:{{{Beilstein|}}}|Beilstein }} |par_value={{#if:{{{Beilstein|}}}|{{{Beilstein}}} }} }}
{{Chembox entry|par_name={{#if:{{{Gmelin|}}}|Gmelin }} |par_value={{#if:{{{Gmelin|}}}|{{{Gmelin}}} }} }}
{{Chembox entry|par_name={{#if:{{{ChemSpiderID|}}}|ChemSpiderID }} |par_value={{#if:{{{ChemSpiderID|}}}|{{{ChemSpiderID}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DMet|}}}|3DMet }} |par_value={{#if:{{{3DMet|}}}|{{{3DMet}}} }} }}
}}</includeonly><noinclude>[[Category:Chembox templates|Identifiers]]
</noinclude>

Template:Chembox Identifiers

2009-05-25T21:29:12Z

AngelHerraez: testing the Chembox template

<includeonly>{{#if:{{{Abbreviations|}}}{{{CASNo|}}}{{{CASNos|}}}{{{CASOther|}}}{{{ChemSpiderID|}}}{{{SMILES|}}}{{{UNNumber|}}}{{{InChI|}}}{{{DispSMILES|}}}{{{DispInChI|}}}{{{FullSMILES|}}}{{{FullInChI|}}}{{{DrugBank|}}}{{{EINECS|}}}{{{EC-number|}}}{{{EINECSCASNO|}}}{{{PubChem|}}}{{{RTECS|}}}{{{KEGG|}}}{{{MeSHName|}}}{{{ATCCode|}}}{{{ATCCode_prefix|}}}{{{ATCCode_suffix|}}}{{{ChEBI|}}}{{{Beilstein|}}}{{{Gmelin|}}}{{{3DMet|}}}{{{ATC_Supplemental|}}}|! {{Chembox header}} {{!}} Identifiers
{{!}}-
{{Chembox entry|par_name={{#if:{{{Abbreviations|}}}|Abbreviations }} |par_value={{#if:{{{Abbreviations|}}}|{{{Abbreviations}}} }} }}
{{Chembox CASNo|value={{#if:{{{CASNo|}}}|{{{CASNo}}} }} |value_ref={{#if:{{{CASNo_Ref|}}}|{{{CASNo_Ref}}} }} |value2={{#if:{{{CASNos|}}}|{{{CASNos}}} }}|value3={{#if:{{{CASOther|}}}|{{{CASOther}}} }} }}
{{Chembox entry|par_name={{#if:{{{PubChem|}}}|PubChem }} |par_value={{#if:{{{PubChem|}}}|{{{PubChem}}} }} }}
{{Chembox entry|par_name={{#if:{{{EINECS|}}}|EINECS }} |par_value={{#if:{{{EINECS|}}}|{{{EINECS}}} }} }}
{{Chembox entry|par_name={{#if:{{{EC-number|}}}|EC-number }} |par_value={{#if:{{{EC-number|}}}|{{{EC-number}}} }} }}
{{Chembox entry|par_name={{#if:{{{EINECSCASNO|}}}|EINECSCASNO }} |par_value={{#if:{{{EINECSCASNO|}}}|{{{EINECSCASNO}}} }} }}
{{Chembox entry|par_name={{#if:{{{UNNumber|}}}|UNNumber }} |par_value={{#if:{{{UNNumber|}}}|{{{UNNumber}}} }} }}
{{Chembox entry|par_name={{#if:{{{DrugBank|}}}|DrugBank }} |par_value={{#if:{{{DrugBank|}}}|{{{DrugBank}}} }} }}
{{Chembox entry|par_name={{#if:{{{KEGG|}}}|KEGG }} |par_value={{#if:{{{KEGG|}}}|{{{KEGG}}} }} }}
{{Chembox entry|par_name={{#if:{{{MeSHName|}}}|MeSHName }} |par_value={{#if:{{{MeSHName|}}}|{{{MeSHName}}} }} }}
{{Chembox entry|par_name={{#if:{{{ChEBI|}}}|ChEBI }} |par_value={{#if:{{{ChEBI|}}}|{{{ChEBI}}} }} }}
{{Chembox entry|par_name={{#if:{{{RTECS|}}}|RTECS }} |par_value={{#if:{{{RTECS|}}}|{{{RTECS}}} }} }}
{{Chembox entry|par_name={{#if:{{{ATCCode|}}}{{{ATCCode_prefix|}}}{{{ATCCode_suffix|}}}{{{ATC_Supplemental|}}}|ATCCode }} | par_value={{#if:{{{ATCCode|}}}|{{{ATCCode}}} }} | par_value1={{#if:{{{ATCCode_prefix|}}}|{{{ATCCode_prefix}}} }} | par_value2={{#if:{{{ATCCode_suffix|}}}|{{{ATCCode_suffix}}} }} | par_value3={{#if:{{{ATC_Supplemental|}}}|{{{ATC_Supplemental}}} }} }}
{{Chembox entry|par_name={{#if:{{{SMILES|}}}{{{FullSMILES|}}}{{{DispSMILES|}}}|SMILES }} |par_value={{#if:{{{SMILES|}}}|{{{SMILES}}} }} |par_value2={{#if:{{{FullSMILES|}}}|{{{FullSMILES}}} }}|par_value3={{#if:{{{DispSMILES|}}}|{{{DispSMILES}}} }} }}
{{Chembox entry|par_name={{#if:{{{InChI|}}}{{{FullInChI|}}}{{{DispInChI|}}}|InChI }} |par_value={{#if:{{{InChI|}}}|{{{InChI}}} }} |par_value2={{#if:{{{FullInChI|}}}|{{{FullInChI}}} }}|par_value3={{#if:{{{DispInChI|}}}|{{{DispInChI}}} }} }}
{{Chembox entry|par_name={{#if:{{{Beilstein|}}}|Beilstein }} |par_value={{#if:{{{Beilstein|}}}|{{{Beilstein}}} }} }}
{{Chembox entry|par_name={{#if:{{{Gmelin|}}}|Gmelin }} |par_value={{#if:{{{Gmelin|}}}|{{{Gmelin}}} }} }}
{{Chembox entry|par_name={{#if:{{{ChemSpiderID|}}}|ChemSpiderID }} |par_value={{#if:{{{ChemSpiderID|}}}|{{{ChemSpiderID}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DMet|}}}|3DMet }} |par_value={{#if:{{{3DMet|}}}|{{{3DMet}}} }} }}
}}</includeonly><noinclude>[[Category:Chembox templates|Identifiers]]
</noinclude>

Template:Chembox Structure

2009-05-25T21:17:23Z

AngelHerraez: create a new template, similar to WP Chembox

<includeonly>{{#if:{{{CrystalStruct|}}}{{{3DStruct|}}}{{{SpaceGroup|}}}{{{Coordination|}}}{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}{{{MolShape|}}}{{{Dipole|}}}{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}{{{OrbitalHybridisation|}}}|! {{Chembox header}} {{!}} Structure
{{!}}-
{{Chembox entry|par_name={{#if:{{{CrystalStruct|}}}|CrystalStruct }}|par_value={{#if:{{{CrystalStruct|}}}|{{{CrystalStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{3DStruct|}}}|3DStruct }} |par_value={{#if:{{{3DStruct|}}}|{{{3DStruct}}} }} }}
{{Chembox entry|par_name={{#if:{{{SpaceGroup|}}}|SpaceGroup }}|par_value={{#if:{{{SpaceGroup|}}}|{{{SpaceGroup}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_a|}}}{{{LattConst_b|}}}{{{LattConst_c|}}}|LattConst }} |par_value={{#if:{{{LattConst_a|}}}|{{{LattConst_a}}} }} |par_value1={{#if:{{{LattConst_b|}}}|{{{LattConst_b}}} }} |par_value2={{#if:{{{LattConst_c|}}}|{{{LattConst_c}}} }} }}
{{Chembox entry|par_name={{#if:{{{LattConst_alpha|}}}{{{LattConst_beta|}}}{{{LattConst_gamma|}}}|LattConst_Angle }} |par_value={{#if:{{{LattConst_alpha|}}}|{{{LattConst_alpha}}} }} |par_value1={{#if:{{{LattConst_beta|}}}|{{{LattConst_beta}}} }} |par_value2={{#if:{{{LattConst_gamma|}}}|{{{LattConst_gamma}}} }} }}{{Chembox entry|par_name={{#if:{{{Coordination|}}}|Coordination }} |par_value={{#if:{{{Coordination|}}}|{{{Coordination}}} }} }}
{{Chembox entry|par_name={{#if:{{{MolShape|}}}|MolShape }} |par_value={{#if:{{{MolShape|}}}|{{{MolShape}}} }} }}
{{Chembox entry|par_name={{#if:{{{OrbitalHybridisation|}}}|OrbitalHybridisation }} |par_value={{#if:{{{OrbitalHybridisation|}}}|{{{OrbitalHybridisation}}} }} }}
{{Chembox entry|par_name={{#if:{{{Dipole|}}}|Dipole }} |par_value={{#if:{{{Dipole|}}}|{{{Dipole}}} }} }} }}</includeonly><noinclude>
[[Category:Chembox templates|Structure]]
</noinclude>