cntres: Counts the numbers of restraints of different classes

Usage:

cntres [-n] [-Mm] file.upl [file.lol]

Description:

n is the number of residues on which to base the number of restraints per residue

m is the number of the last residue in the first monomer for dimeric molecules. Restraints between a residue whose residue number is <= m and one whose residue number is > m will be counted as intermolecular.

Counts the number of restraints in various classes and if the -n switch is given, outputs the number of restraints per residue. For dimeric molecules, -M sets the number of the last residue in the first monomer to m for the case where the last residue number is different than the number used to calculate restraints per residue.

Depending on whether or not restraints to force the linearity of hydrogen bonds are specified, the number of hydrogen bonds reported may need to be adjusted.

Example:

   cobalt% cntres -20 file.upl
   Total number of intraresidue NOEs:              39
   Total number of sequential NOEs:                74
   Total number of medium range NOEs:              0
   Total number of long range NOEs:                10
   Total number of backbone hydrogen bonds :       39
   Total number of restraints:                     162

   Number of residues:                             20
   Number of NOE restraints per residue:           14.25


   Note:  The number of hydrogen bonds reported may need to be corrected
      for multiple restraints per hydrogen bond to enforce linearity.