Syntax

NCS RESTraints { <NCS-restraints-statement> } END

is invoked from the main level of X-PLOR.

<NCS-restraints-statement>:==

GROUp

{ <ncs-restraints-group-statement> } END adds a new group to the restraint NCS database.

INITialize

erases the current restraint NCS database. If no restraints are specified, the energy flag NCS should be turned off as well.

<NCS-restraints-group-statement>:==

EQUIvalence=<selection>

adds a new set of NCS-equivalent atoms within the group to the restraint NCS database.

SIGB=<real>

gives the target deviation for B-factor restraints (deviation from the average B of equivalent atoms) in Å (default=2.0 Å).

WEIGht=<real>

gives the effective energy constant for the positional restraints in kcal mole Å (default: 300.0 kcal mole Å).