ATOM RENAMING in RES-FILES

PLUTON can be used to interactively change atom labels in the atom records in '.res' files.

A new file (with extension .pl.res), that includes the changes, is written only under the following conditions:

  1. PLUTON should have been called directly from the command line, either via an alias 'pluton', 'platon -p' or via the 'toPLUTON' option in the PLATON opening menu.

    The PLUTONauto button will not work because not the .res but an ad-hoc derived (non-res style) .eld file will be read.

  2. The input file must be recognized as 'shelx.res' format type.

There are three options for RENAME

  1. KEYBOARD-1

    e.g. REN C100 C1 C150 C2 C5 P1 This will change C100 into C1 etc.

  2. KEYBOARD-2

    Just giving the instruction RENAME. This initiates a loop through all atoms for renaming.

    The current atom under consideration for renaming is accompanied with a label in RED.

    The new name may be typed.

    Hitting the RETURN key leaves the label unchanged.

  3. VIA MENU:

    Click in CONTENT MENU on RENAME ATOM Click on ATOM to be renamed and give new name via KEYBOARD options 1 or 2.

Note: It might be useful to click on 'Asym-Residue' to display the atoms in the asymmetric unit only and/or select an individual residue (with Resd012) for large (many residue / symmetry expanded) structures.
Example: sdemo-rename
PLATON HOMEPAGE
21-12-21 A.L.Spek