2 N_MOLECUL
Keyword: nmolecules, model, build, N_MOLECUL
File: nmol.txt
Last modified: 22-jul-2002

Items of the menu block "N_MOLECUL" assist in model building ("WORK", 
"PUT_TO", "GET_FROM","GOTO_SEQ", CRE_OTHE") in the cases, when there
is more than one equal molecule in an asymmetric unit of one or
several crystal forms.  The segment ID items ("SID_????")  submit the
segment name as argument to the "WORK", "PUT_TO". "GET_FROM" and "GOTO_SEQ" 
modes.  There are as manu "SID_" items as there are segment IDs.

The working modes ("WORK", "PUT_TO", "GET_FROM") are set via
"MAIN_CMDS:nmol_work_mode.cmds", wheras the segment ID items
("SID_????") invoke "MAIN_CMDS:nmol_action.cmds" macro.

The menu is created with "main_config" tools command
("MAIN_CONF:create_load_nmol.pl") and loaded by running a
"read.com", wheras the other macros are generated in
"dens_mod" section ("MAIN_CONF:menu_dens_mod.sh") or parts
even at run time.  For example of a load file see
"MAIN_DOC:nmol/load_4mol.com".  

For a more general frame of appliactions see "MAIN_DOC:nmol/nmol.txt"

3 WORK
Keyword: WORK, WORK_SEGM

Sets the mode to "WORK", meaning that the next clicked "SID_????"  will
trigger a new definition of a working segment and display images of all
equivalent molecules superimposed to the working segment.

3 PUT_TO
Keyword: PUT_TO

Sets the mode to "PUT_TO", meaning that the next clicked "SID_????"  will
copy conformation and occupancy of the "active" key atoms
from the currently working segment to the equivalent
part of the designated molecule.

"PUT_TO" is on opposite of "GET_FROM".

3 GET_FROM
Keyword: GET_FROM

Sets the mode to GET_FROM, meaning that the next clicked SID_????
will copy conformation and occupancy of the equivalent part of the
SID_???? to the working segment "active" key atoms.

"GET_FROM" is on opposite of "PUT_TO".

3 GOTO_SEQ
Keyword: goto seqence, center

Sets the mode to GOTO_SEW, meaning that the next clicked SID_????
will move the center of the 3D image to the center of the residue with
the same sequence ID on SID_???? as has last been clicked (picked to
history list).

3 CRE_OTHER
Keyword: molecule creation, CRE_OTHER

Creates all equivalent molecular segments in the group from the
current working segment using the local symmetry operators from the
file.

3 ROT_MAPS
Keyword: map rotation, rotate_maps.cmds, ROT_MAPS

Will rotate maps of equivalent segments to the current working segment
mask.  The macro is created when the "WORK" segment is chosen.