File: set_weight.txt
Last modified: 4-mar-2007
SET_WEIGHT menu block deals with manual as well as automated atom weight (occupancy) assignment.
Menu block is loaded with teh MAIN_CMDS_NEW:load_set_weights.com.
Sets the variable "set_weight" to 0 in order to define later dummy atoms by hiting items (WEIG_ATO, WEIG_RES, WEIG_ACT).
Sets the variable "set_weight" to 0 in order to define later crystallographic scatterers by hiting items (WEIG_ATO, WEIG_RES, WEIG_ACT).
Sets the last picked atom WEIGHT to the variable "set_weight" defined by the latest WEIGH_0 or WEIGH_1 command.
> set weight sele numb atom $1 end set_weight
Sets the WEIGHT of all side chains atoms of the last picked residue to the variable "set_weight" as set by the latest WEIGH_0 or WEIGH_1 command.
Sets the WEIGHT of atoms of the last picked residue to the variable "set_weight" as set by the latest WEIGH_0 or WEIGH_1 command.
Sets the WEIGHT of "active" atoms to the variable "set_weight" as set by the latest WEIGH_0 or WEIGH_1 command.
> set weight sele active end set_weight
Sets weight of the residues of the active selection according to the currently active map at the current contour level. It does not simnply set weights of atoms whether they lie in or out of a density map, but also takes account "a sense" of connectivity.
In combination with KICK MAPS it will remove the unreliable atoms from phasing by setting their occupancies to zero. Which you can use then in the subsequent map calculation.