REFMAC (CCP4: Supported Program)

User's manual for the program refmac_5.*

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