File: center.txt

CENTER

Last: modified: 20-nov-2007

In order to inspect your model systematically by progressing from one residue to the next, the "CENTER" menu block was created. The "CENT_NEX" item and the shortcuts for "go" ("g" and "G") lead you from one residue to the next.

There are two modes "BY_RESID" and "BY_VALID".

BY_RESID

"BY_RESID" mode enables you to jump from one residue to the next or previous in the sequence. It works in combination with "CENT_STA" and "CENT_DEF".

BY_VALID

"BY_VALID" mode enables you to jump from one atom on the list to the next one. It works in combination with "GEN_LIST".

CENT_STA

Sets the current center to the starting residue of the SEGMENT ID last clicked.

CENT_DEF

Sets the current center to last clicked one.

CENT_NEX

Jumpes to the next residue or atom on the list. When in "BY_RESID" mode the short cuts hve additional functionality "g" jumps forward and "G" backwards. In "BY_VALID" mode, shortcuts jump only forward to the next atom on the list.

GEN_LIST

It configures the validation, runs it on the "active" selection and jumps to the "BY_VALID" mode by assigning the atom center to the top most violator of the list.

Using the "configure" mouse button (right), the "create_anal_center.pl" script is invoked, which eanbles you to choose the things to be validated. Its "doit" results in creation of the local file "anal_center_list.cmds".

When using the "execute" mouse button (the left) the "anal_center_list.cmds" is executed. It writes the analysis of the active selection to the file "validate.dat", invokes its processing by the "analize_file.pl" and creates the "center_next.com" macro, which contains the sorted list of violators of your analysis.