MakeTNT-toolkit User Documentation previous next
EditREFMAC

EditREFMAC

Copyright © 2004-2008 Global Phasing Limited

All rights reserved.

This software is proprietary to and embodies the
confidential technology of Global Phasing Limited (GPhL).
Possession, use, duplication or dissemination of the software is
authorised only pursuant to a valid written licence from GPhL.

Author: (2004-2008) M. Brandl


Contents


General Information

EditREFMAC is a Java-based interactive tool to edit and visualize REFMAC-restraints. You can modify existing restraints or delete them and add new ones. Visualization by rasmol is generated at runtime.


How to start EditREFMAC

Please start EditREFMAC using the command:

% EditREFMAC [REFMAC-dictionary-file] [PDB-file] [ligand-3-letter code]

where:

Argument Description Note
Refmac-library-file Refmac-library-file(including monomer description of ligand)
  • please check MakeTNT's current format requirements for REFMAC restraint dictionaries
  • PDB-file name of PDB-file matches up with Refmac library-file
    3-letter code 3-letter code of the residue you wish to edit only restraints for this residue will be edited

    See also

    % EditREFMAC -h

    for a list of command line arguments. For an example, please refer to the Example section of this documentation.


    How to Use EditREFMAC

    • Click on the tab atom, tree, bond, etc. to view a table of restraints of the given kind
    • Use the mouse to select the first restraint you want to visualize in the table
    • Scroll up and down the table with the arrow keys to visualize/search for restraints
    • Check the update on the display before you save the table
    EditREFMACJMOL.png


    Example:


    Output:


    Maria Brandl,<buster-develop@GlobalPhasing.com>
    Last modification: 20.11.06