User:Karsten Theis/Sandbox 1

(Difference between revisions)

Revision as of 21:59, 16 November 2018

Here is the molecule. Here is how it can rotate around its single bonds to get a different conformation:

load $pentane; rotate BRANCH [1 2 3 4 0 900 3 2 1 0 1800 0] 10

For large structures, use label "%D" to find numbers of selected atoms.

(basic)

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	load $pentane; rotate BRANCH [1 2 3 4 0 900 3 2 1 0 1800 0] 10		load $pentane; rotate BRANCH [1 2 3 4 0 900 3 2 1 0 1800 0] 10
		+
		+	For large structures, use label "%D" to find numbers of selected atoms.