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Syntax

 RAMA {<Ramachandran-statement>} END 
 <RAMA-statement>:== 
  ASSIgn <sel><sel><sel><sel> 
   ! [<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, GAUSs, 
   ! FORCe, and SIZE entries until another CLASS entry 
   ! is issued. 
  CUTOff <real> ! width below which I dont calc a gaussian
  FORCeconstant <real> ! force constant for all assignments 
   ! in the current class. {default = 1} 
  GAUSsian <real> <real><real>[<real><real>...] ! defines the
   ! parameters for a 1, 2, 3, or 4D Gaussian function 
  NREStraints <integer> ! number of slots for Ramachandran 
   ! restraints to allocate in memory {default = 200} 
  PHASe <real><real><real> [<real><real><real>...
   ! Set phase corrections for the torsion
   ! angles involved in the current class 
  PRINt THREshold <real> <ALL | CLASs <name>> ! prints 
   ! Ramachandran violations greater than the specified value 
   ! for all classes or just for the named class. 
  QUARtic <real> <real><real>[<real><real>...] ! defines the
   ! parameters for a 1, 2, 3, or 4D quartic function 
  RESEt  ! erases the Ramachandran assignment table 
  SCALe <real> ! overall scale factor multiplied to each
   ! class's force constant
  SHAPe <gauss | quart> ! shape to use for current class
  SIZE <ONED|TWOD|THREED|FOURD> <real> [<real> ...]
   ! Defines the number of dimensions in the current class 
   ! and the angular range (in rad) of each dimension 
  SORT ! sorts the assignment table so that internally,
   ! assignments of the same class are placed together
  ZERO ! erases the Gaussians
Xplor-NIH 2024-09-13