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Syntax

ANGLedb {<bond-angle-database-statement>} END
ANGDB-statement>:==
  ASSIgn <sel> <sel> <sel> <sel>   <sel> <sel> <sel> <sel>
            <sel> <sel> <sel> [<sel>]
           ! add an entry to the current class. Selections define
           ! the dihedral angle(s) for that entry.
  CLASsification <name>
           ! Starts a new class. Applies to all ASSIgn, EXPE,
           ! FORCe, and SIZE entries until another CLASs entry
           ! is issued.
   DERIVflag < ON | OFF> ! Turns derivatives with respect to
           ! phi and psi on and off.
   EXPEctation <integer> <integer> <real>
           ! Indicates coordinates in the expectation grid
           ! and the value at those coordinates.
   ERROr <real> ! Set the square well error for the current
           ! class (in EXPE units).
   FORCeconstant <real> ! force constant for all assignments
           ! in the current class. (default : 1)
   NREStraints <integer> ! number of slots for angle database
           ! restraints to allocate in memory. (default :200)
   POTEntial <SQUAre | HARMonic> ! use errors or not.
   PRINt THREshold <real> <ALL | CLASs <name>> ! prints
           ! angle database violations greater than the specified value
           ! for all classes or just for the named class.
   RESEt ! erases the angle database assignment table.
   SIZE <ANGLe | DIHEdral> <integer> <integer> ! Defines the
           ! type of the third angle in the current class expectation
           ! grid and the number of steps along each dimension.
   ZERO ! zero out all the expectation value arrays.
Xplor-NIH 2024-09-13