Jmol/Electrostatic potential - Revision history

Karsten Theis at 01:37, 11 October 2020

2020-10-11T01:37:21Z

← Older revision		Revision as of 01:37, 11 October 2020
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	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>		<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>
	<scriptWhenchecked>select all; isosurface molecular map mep; color isosurface range -0.05 0.05		<scriptWhenchecked>select all; isosurface molecular map mep; color isosurface range -0.05 0.05; color isosurface translucent
	</scriptWhenchecked>		</scriptWhenchecked>
	<checked>false</checked>		<checked>false</checked>

2020-10-11T01:32:30Z

← Older revision		Revision as of 01:32, 11 October 2020
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	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>		<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>
	<scriptWhenchecked>select all; isosurface molecular map mep color ~~translucent~~</scriptWhenchecked>		<scriptWhenchecked>select all; isosurface molecular map mep; color isosurface range -0.05 0.05
			</scriptWhenchecked>
	<checked>false</checked>		<checked>false</checked>
	<text>potential map</text>		<text>potential map</text>

2020-10-10T15:16:38Z

← Older revision		Revision as of 15:16, 10 October 2020
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	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>		<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>
	<scriptWhenchecked>select all; isosurface JVXL "http://proteopedia.org/wiki/images/2/2c/1F36.jvxl" ~~color translucent~~</scriptWhenchecked>		<scriptWhenchecked>select all; isosurface JVXL "http://proteopedia.org/wiki/images/2/2c/1F36.jvxl"</scriptWhenchecked>
	<checked>false</checked>		<checked>false</checked>
	<text>potential map</text>		<text>potential map</text>

2020-10-10T15:08:57Z

← Older revision		Revision as of 15:08, 10 October 2020
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	<jmolCheckbox>		<jmolCheckbox>
	<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>		<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>
	<scriptWhenchecked>select all; isosurface JVXL "http://proteopedia.org/wiki/images/2/2c/1F36.jvxl"</scriptWhenchecked>		<scriptWhenchecked>select all; isosurface JVXL "http://proteopedia.org/wiki/images/2/2c/1F36.jvxl" color translucent</scriptWhenchecked>
	<checked>false</checked>		<checked>false</checked>
	<text>potential map</text>		<text>potential map</text>

2020-10-10T15:07:56Z

← Older revision		Revision as of 15:07, 10 October 2020
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	DNA-binding (and DNA-bending) of <scene name='86/864093/Fis/1'>FIS</scene> is believed to be mostly electrostatic, explaining the low sequence-specificity and the high sensitive of interactions to ionic strength of the solvent.		DNA-binding (and DNA-bending) of <scene name='86/864093/Fis/1'>FIS</scene> is believed to be mostly electrostatic, explaining the low sequence-specificity and the high sensitive of interactions to ionic strength of the solvent.

			Use this checkbox to toggle the potential on and off:
			<jmol>
			<jmolCheckbox>
			<scriptWhenUnChecked>isosurface off</scriptWhenUnChecked>
			<scriptWhenchecked>select all; isosurface JVXL "http://proteopedia.org/wiki/images/2/2c/1F36.jvxl"</scriptWhenchecked>
			<checked>false</checked>
			<text>potential map</text>
			</jmolCheckbox>
			</jmol>

	</StructureSection>		</StructureSection>
	== References ==		== References ==
	<references/>		<references/>

2020-10-10T14:59:56Z

← Older revision		Revision as of 14:59, 10 October 2020
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	===Example 2: the DNA-binding protein FIS===		===Example 2: the DNA-binding protein FIS===

			DNA-binding (and DNA-bending) of <scene name='86/864093/Fis/1'>FIS</scene> is believed to be mostly electrostatic, explaining the low sequence-specificity and the high sensitive of interactions to ionic strength of the solvent.
	</StructureSection>		</StructureSection>
	== References ==		== References ==
	<references/>		<references/>

2020-10-10T14:06:28Z

@@ Line 39: / Line 39: @@
 ===Example 1: water===
 Electrostatic potential of <scene name='86/864093/Water/1'>water</scene> based on partial charges calculated in molcalc.org.
 After loading the .smol file, the following command was used to show the potential:

2020-10-10T14:03:14Z

← Older revision		Revision as of 14:03, 10 October 2020
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	molcalc.org, e.g. http://molcalc.org/calculation/cc11a07f2bb4579391c1e0603665f673#/solvation		molcalc.org, e.g. http://molcalc.org/calculation/cc11a07f2bb4579391c1e0603665f673#/solvation

			Some theory on the Poisson Boltzmann equation: DOI:10.1002/jmr.577

	<StructureSection load='1F36' size='340' side='right' caption='' scene=''>		<StructureSection load='1F36' size='340' side='right' caption='' scene=''>
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	===Example 1: water===		===Example 1: water===
	Electrostatic potential of water based on partial charges calculated in molcalc.org.		Electrostatic potential of <scene name='86/864093/Water/1'>water</scene> based on partial charges calculated in molcalc.org.

	After loading the .smol file, the following command was used to show the potential:		After loading the .smol file, the following command was used to show the potential:

2020-10-10T14:01:41Z

← Older revision		Revision as of 14:01, 10 October 2020
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	===Example 1: water===		===Example 1: water===
			Electrostatic potential of water based on partial charges calculated in molcalc.org.

			After loading the .smol file, the following command was used to show the potential:
			<nowiki>isosurface molecular map mep color translucent</nowiki>

2020-10-10T13:55:09Z

← Older revision		Revision as of 13:55, 10 October 2020
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	<StructureSection load='1F36' size='340' side='right' caption='' scene=''>		<StructureSection load='1F36' size='340' side='right' caption='' scene=''>
	~~This is a default text for your page '''Jmol/Electrostatic potential'''. Click above on '''edit this page''' to modify. Be careful with the < and > signs.~~

	===Example 1: water===		===Example 1: water===