Dear Stephen,

First you change cife file to pdb file of your structure using CCDC mercury program. It's freely available in the CCDC site. Then use CCP4 Sketcher program to create the monomer library file with the pdb file of your structure.

Wishes,

Sampath N

2011/1/5 Dr. STEPHEN SIN-YIN, CHUI <[log in to unmask]>

Dear all experts,

Just a simple question, how can I obtain a monomer library CIF (XXXX_lib.cif) of
a new small molecule that could be recognized by Refmac5? If i have a CCDC cif
file.

many thanks

stephen

--
Dr. Stephen Sin-Yin Chui (徐先賢)
Assistant Professor,
Department of Chemistry,
The University of Hong Kong, Pokfulam Road,
Hong Kong SAR, China.
Tel: 22415814 (Office), 22415818 (X-ray Diffraction Laboratory)

--
************************************************
Dr. N.Sampath
Assistant Professor
Dept. of Advanced Technology Fusion
Konkuk University
1 Hwayang-dong, Gwangjin-gu,
Seoul, 143-701, Korea
Tel: 82-2-450-4151
Fax: 82-2-444-6707
E-mail: [log in to unmask]
************************************************