REFMAC (CCP4: Supported Program)

User's manual for the program refmac_5.0.36


Full Description of the dictionary files
Description of organisation of the ligand dictionary used by the program REFMAC
Dictionary entry from coordinate file(s)
How to make a dictionary entry if there is a coordinate file. Coordinate file formats recognised are PDB, small molecule CIF (for example when coordinates are from the Cambridge small molecule database - CSD) or mmCIF
Dictionary entry from minimum description
How to make a dictionary entry by describing only a connectivity list and element names
Interactive sketcher to make dictionary entry
Using interactive sketcher which is part of CCP4 graphical user interface to make dictionary entry
How to avoid the three letter residue name problem
PDB residue names are restricted to three letters. This document describes how to avoid this problem and not to break the PDB rule
Retrieve coordinates from dictionary
If the ligand is in the dictionary file supplied by us: how to retrieve coordinates to start to build using graphics
List of standard monomer descriptions
List of ligand descriptions distributed with the program REFMAC
Links to non-commercial editors to derive coordinates from chemical description
Links to various non-commercial web sites which can help to derive coordinates from chemical descriptions. And these coordinates can be used to derive a dictionary entry as well as for model (re)building