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"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.html
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.
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".
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".
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).
Creates all equivalent molecular segments in the group from the current working segment using the local symmetry operators from the file.
Will rotate maps of equivalent segments to the current working segment mask. The macro is created when the "WORK" segment is chosen.