CYANA Command: distances expand: Difference between revisions
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== Description == | == 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. | |||
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 14:58, 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.