NMR Ensembles of Models: Difference between revisions

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Angel Herraez (talk | contribs)
update to reflect simplified and full model for NMR
Angel Herraez (talk | contribs)
update to reflect simplified and full model for NMR
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===Individual Models===
===Individual Models===


In order to view individual models, click on ''Jmol'' (lower right corner below the molecule) to '''open Jmol's menu'''. There, use the '''All N models''' item (where N is the total number of models in the ensemble). For example, clicking on 1.1: 1 will display only model 1, and the menu will now say ''model 1/N''. You can also use Jmol's menu to change the rendering and coloring.
In order to view individual models, click on ''JSmol'' or ''Jmol_S'' (lower right corner below the molecule) to '''open Jmol's menu'''. There, use the '''All N models''' item (where N is the total number of models in the ensemble). For example, clicking on 1.1: 1 will display only model 1, and the menu will now say ''model 1/N''. You can also use Jmol's menu to change the rendering and coloring.


===Animating NMR Ensembles===
===Animating NMR Ensembles===


When the models in an NMR ensemble are played like a movie, the resulting animation simulates thermal motion (although not all the motions are necessarily real -- see [[#Meaning_of_the_Variation_Between_Models|below]]). In order to animate the models, click on ''Jmol'' (lower right corner below the molecule) to '''open Jmol's menu'''. Choose '''Animation''', then '''Animation mode''', and click on '''Loop'''. Then choose ''Animation'' again, and click '''Play'''. You can change the speed of the animation with '''FPS''' (frames per second) on the ''Animation'' menu.  By default, there is a delay at the first and last models.
When the models in an NMR ensemble are played like a movie, the resulting animation simulates thermal motion (although not all the motions are necessarily real -- see [[#Meaning_of_the_Variation_Between_Models|below]]). In order to animate the models, click on ''JSmol'' or ''Jmol_S'' (lower right corner below the molecule) to '''open Jmol's menu'''. Choose '''Animation''', then '''Animation mode''', and click on '''Loop'''. Then choose ''Animation'' again, and click '''Play'''. You can change the speed of the animation with '''FPS''' (frames per second) on the ''Animation'' menu.  By default, there is a delay at the first and last models.


==Multiple Model Ensembles from NMR==
==Multiple Model Ensembles from NMR==