2 SET_WEIGHT
Keyword: SET_WEIGHT, weight
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".

3 WEIGH_0
Keyword: WEIGH_0, weight, occupancy

Sets the variable "set_weight" to 0 in order to define later
dummy atoms by hiting items (WEIG_ATO, WEIG_RES, WEIG_ACT).

3 WEIGH_1
Keyword: WEIGH_1, weight, occupancy

Sets the variable "set_weight" to 0 in order to define later
crystallographic scatterers by hiting items (WEIG_ATO,
WEIG_RES, WEIG_ACT).


3 WEIG_ATO
Keyword: WEIG_ATO, weight, occupancy

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

3 WEIG_SID
Keyword: WEIG_SID, weight, occupancy

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.

3 WEIG_RES
Keyword: WEIG_RES, weight, occupancy

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.

3 WEIG_ACT
Keyword: WEIG_ACT, weight, occupancy

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

3 AUTO_WEI
Keyword: AUTO_WEI, weight, occupancy, automated

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.