NICE_SEL is quick summary of more useful and ruther extensive SELECT menu block and SELECT commands. The most commonly used combinations of the SELECT menu have been merged into a single click.
Clicking the items manuipilates the selection keys "active" and "passive" thus primarily supporting energy calculations.
The NICE_SEL menu is loaded with the file MAIN_CMDS:load_nice_sel.com.
Add mode describes weather the newly selected atoms (using the menu items belowe ) will be added to the currently selected "active" and "passive" ones or will they replace the current selection. By default ADD_MODE is off (indicated by empty button).
The "ADD_MODE" calls the macros MAIN_CMDS:sel_add_mode_on.cmds and MAIN_CMDS:sel_add_mode_off.cmds. The call is mode dependent.
ACT_WORK selects in the "active" the atoms of the "WORK_SEGM" list of segmnet IDs.
ACT_SGID selects in the "active" the atoms of segment IDs equal to the last clicked atom.
ACT_SEGM selects in the KEY "active" the atoms attached to the last picked atom through a network of covalent bonds, the KEY "passive" includes all "active" atoms.
ACT_2RES selects in the KEY "active" all atoms between the last two picked atoms. The KEY "passive" includes whole residues of all "active" atoms plus all covalently attached residues.
The "ACT_2RES" calls macro MAIN_CMDS:sel_active_2res_rang.cmds.
ACT_NEIG selects in the KEY "active" all atoms that are a certain number of steps through covalent bond network away from the last clicked atom.
The "ACT_NEIG" calls macro MAIN_CMDS:sel_active_neigh.cmds.
ACT_LAST selects in the KEY "active" all atoms of the last clicked residue. from the last clicked atom.
FIX_ATOMS removes all clicked atoms from the key "active". Thereby these atoms are fixed at their positions during following minimization runs.
The "FIX_ATOMS" calls macro MAIN_CMDS:sel_fix_atoms.cmds.
ANCHOR introduces anchors to each picked atom. Atoms are pulled against their anchors with a harmonic force. ANCHORS are freealy movable adn can be minimized against an electron density map (MINI_ANC).
The "ANCHOR" calls macro MAIN_CMDS:sel_anchor.cmds.