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Syntax- VEANngle

 VEAN {<vaen-statement>} END
 <VEAN statement>:== 
  ASSIgn <sel> <sel> <sel> <sel> <real> <real> <real> <real> 
  {* atom i j k l center1 range1 center2 range2 *} 
  CV=<integer> 
     ! select partition number for cross-validation 
  CLASsification <name> 
     ! Starts a new class. 
     ! Applies to all ASSIgn TYPE, and FORCe entries
     ! until another CLASS entry is issued. 
  FORCeconstant <real> <real> 
     ! force constants: <kborder> <kcenter> 
     ! for all assignments in the current class. 
     ! {default = 200 50} 
  NREStraints <integer> 
     ! number of slots for VEctor ANgle restraints 
     ! to allocate in memory {default = 1000} 
  PARTition=<integer> 
     ! number of partitions for complete cross-validation
  PRINt THREshold <real> 
     ! prints VEctor ANgle violations 
     ! greater than the specified value 
  RESEt 
     ! erases the VEctor ANgle assignment table, 
     ! but keeps NREStraints the same.

Xplor-NIH 2025-03-21