Syntax

bit	Xplor-NIH	VMD-XPLOR

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Syntax

XANGle {<Angle-statement>} END
<Angle-statement> :==
    ASSIgn <sel> <sel> <real> <real> <real>
           ! Detected nucleus, Coupled nucleus, theta, phi, err
           ! Error is defined as the accepted deviation from unity
           ! of the cosine squared of the angle between the observed
           ! and calculated vector orientations.
   CLASsification <name>
           ! Starts a new class.
    FORCeconstant <real>
           ! Force constant for the given class.
    NREStraints <integer>
           ! Number of slots for orientational restraints to 
           ! allocate in memory.
    PRINt THREshold <real>
           ! Prints violations greater than the specified value. This 
           ! value is calculated as the deviation from unity of the 
           ! cosine squared of the angle between the observed and 
           ! calculated vector orientations.
     RESEt
           ! Erases the restraints table, but keeps NRES the same.

Xplor-NIH 2025-11-07