Jmol/Using the console: Difference between revisions
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===Superpositions=== | ===Superpositions=== | ||
For a superposition, you load a file that contains multiple models, or a structure with multiple copies of the same chain in the asymmetric unit. The example below is for multiple models, with model 1.1 and 2.1 sufficiently similar to be meaningfully superimposed. The three dots ("...") in the two select statements should be filled in such that equivalent atoms are selected. In the example scene below, both structures bind to the same ligand. | |||
select 1.1 and ... | |||
show selected | |||
define set1 selected | |||
select 2.1 and ... | |||
show selected | |||
define set2 selected | |||
compare {2.1} {1.1} ATOMS{set2}{set1} ROTATE TRANSLATE | |||
Model 2.1 gets moved and model 1.1 stays in place. | |||
Here is an example, GAL and NAGAL superimposed via the ligand. The Jmol script for the scene is here (see Figure X), and the key command is: | |||
compare {2.1} {1.1} ATOMS{1000:A and _C}{801:A and _C} ROTATE TRANSLATE | |||
===Covalent modifications=== | ===Covalent modifications=== | ||
