RDENT (CCP4: Supported Program)
NAMErdent - Create dictionary entries for Restrain from PDB file.
SYNOPSISrdent XYZIN pdb_file DICT dictionary_entry
1. A dictionary entry is created for each residue in the pdb file.
2. The coordinates in the file must represent an accurate structure of the residue, e.g. from the "learn" function in X-PLOR. The coordinates taken from a single PDB entry are probably not good enough, unless it is a very high resolution structure determination.
3. This only creates the distance restraint entries, with zero standard deviations (Restrain will use default values if you leave the standard deviations zero).
4. No inter-residue restraints are made.
5. You still have to add the dihedral, chiral centre and plane definitions (see Restrain documentation for details).
6. To obtain a complete dictionary for use with RESTRAIN, you should make a copy of one of the standard Restrain dictionaries (in CCP4 $CLIBD) and add the entries obtained from RDENT at any suitable point (before the first END). Alternatively ask one of the Restrain maintainers to replace the standard dictionary with your version; this will allow other users to access the new dictionary entry.