## 8DEMOS: RamachandranRestraints - Ramachandran plot and rotamer restraints
##
## Restraints for phi/psi torsion angle pairs, and for side-chain torsion 
## between tetrahedral atoms are created in order to favor allowed regions
## of the Ramachandran plot and staggered rotamer positions. Allowed regions
## are roughly based on those used by the PROCHECK program.
##
## Normally, these restraints will be used temporarily during the first part
## of the standard simulated annealing schedule (anneal.cya) but not in the
## final phase of the structure calculation.
##
## Demo files:
## Input: demo.seq
## Output: rama.aco
##
## PROCHECK-NMR: Laskowski et al. (1996) J. Biomol. NMR 8, 477-486.


read seq demo.seq
ramaaco minimal				# add temporary angle restraints for Ramachandran plot
#ramaaco				# alternative with tighter restraints
rotameraco				# add temporary restraints for staggered rotamers
write aco rama.aco