Dear Stephen,
a cif from CCDC is something totally different from a refmac CIF.
You need to convert to PDB (you can also use MOE software if available).
When you have built in your small molecule PDB into your whole model you
just run refmac.
Refmac will fail but write out a suggestion for a
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, CH
Dear all experts,
Just a simple question, how can I obtain a monomer library CIF (_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 Univer
To the CCP4BB members:
We are seeking to hire a protein crystallographer to work on a new project
in our group. Funding is currently available to support the position for
one year, with the possibility of renewal at the end of this time. We are
looking for someone with 2-5 years of experienc
Hi Meg,
I think with your pi you may also test a Q-Sepharose at neutral to slightly
alkaline pH. Maybe your protein is more comfortable with this condition
compared to a pH of 4.5. As mentioned befor your protein is most likely
precipitated on the column.
Best regards
Christian
Am Dienstag
