Macro Repository

TransferChainAssignments by Tim Stevens — last modified 2006-03-16 23:04

Macro to transfer assignments form one molecular system chain to another

StructurePredictNoePeakList by Tim Stevens — last modified 2006-03-16 23:05

Make a mock NOE peak list based upon a structure

MakePeakListFromShifts by Tim Stevens — last modified 2006-03-16 23:13

Use a shift list to pick peaks at shift intersections

ColourProfiles by Tim Stevens — last modified 2006-03-16 23:08

Quickly setup customised window and contour colors

MakeDecoupledPeakList by Tim Stevens — last modified 2011-05-27 10:35

This macro asks for a peak list which contains assigned multiplets and creates a separate sibling list with 'decoupled' peaks. Each new peak is created by combining multiplet peaks that have exactly the same assignments (there is no provision for mixed ambiguity in only part of a multiplet). The new peak intensities are the summation of the multiplet peaks and the new positions are the multiplet means.

CorrectDeuteriumShifts by Tim Stevens — last modified 2011-06-01 11:11

A macro to make a new chemical shift list by duplicating a selected one and subtracting (or adding) the residue specific 2H shift adjustments for backbone N, CA and CB resonances.