CYANA Command: distances expand: Difference between revisions

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== Description ==
== Description ==


This command explicitly expands all (not only selected) distance
Expands explicitly all (not only the selected) distance restraints that involve pseudoatoms into ambiguous distance restraints with the corresponding hydrogen atoms. If the variable '''expand''' has the value 2, then also restraints with diastereotopic protons are expanded into ambiguous distance restraints involving the two diastereotopic partners. Normally, it is not necessary to apply this command because distance restraints that involve pseudoatoms are expanded "on-the-fly" internally by the program if the variable '''expand''' is set to 1.
restraints that involve pseudoatoms into ambiguous distance restraints
with the corresponding hydrogen atoms.
 
If the variable '''expand''' has the value 2, then also restraints with
diastereotopic protons are expanded into ambiguous distance restraints
involving the two diastereotopic partners.
 
Normally, it is not necessary to apply this command because distance
restraints that involve pseudoatoms are expanded "on-the-fly"
internally by the program if the variable '''expand''' is set to 1.

Latest revision as of 13:58, 7 August 2009

Parameters

(none)

Description

Expands explicitly all (not only the selected) distance restraints that involve pseudoatoms into ambiguous distance restraints with the corresponding hydrogen atoms. If the variable expand has the value 2, then also restraints with diastereotopic protons are expanded into ambiguous distance restraints involving the two diastereotopic partners. Normally, it is not necessary to apply this command because distance restraints that involve pseudoatoms are expanded "on-the-fly" internally by the program if the variable expand is set to 1.