Copyright © 2004-2008 Global Phasing Limited
All rights reserved.
This software is proprietary to and embodies the
confidential technology of Global Phasing Limited
Possession, use, duplication or dissemination of
the software is
authorised only pursuant to a valid
written licence from GPhL.
Author: (2004-2008) M. Brandl
EditREFMAC is a Java-based interactive tool to edit and visualize
You can modify existing restraints or delete them and
add new ones. Visualization by rasmol is generated at runtime.
Please start EditREFMAC using the command:
% EditREFMAC [REFMAC-dictionary-file] [PDB-file] [ligand-3-letter code]
||Refmac-library-file(including monomer description of ligand)
||please check MakeTNT's current format requirements for REFMAC restraint dictionaries
||name of PDB-file
||matches up with Refmac library-file
||3-letter code of the residue you wish to edit
||only restraints for this residue will be edited
for a list of command line arguments. For an example, please refer to
the Example section of this documentation.
- Click on the tab atom, tree,
bond, etc. to view a table of restraints of the
- 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
Please enter samples/maketnt/EditREFMAC and execute: EditREFMAC 1A29_22_lib.cif TFP.pdb TFP
If you click on Save Table on the menu, the complete table will be saved
into a file with the extension ".user". This allows you to visualize and change data for a particular
monomer without loss of the other information generated by Refmac. If you submit e.g. a library file generated by Refmac, it should still work in Refmac-refinement.
The Save and Convert to TNT option saves the complete table with the extension ".user",
subsequently converts the restraints for the monomer specified to a TNT-dictionary file (name: 3-letter-residue-code ".fromRefmac.dic") and
starts EditTNT on the TNT-dictionary file for further inspection and editing. Please note, that this tool only converts the monomer specified and not the complete library.
Last modification: 20.11.06