Distances expand: Difference between revisions
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= | = distances_expand = | ||
== Parameters == | == Parameters == | ||
Latest revision as of 19:18, 28 January 2009
distances_expand
Parameters
- (none)
Description
This command explicitly expands all (not only 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.