I do not know why it is not in the ccp4 (my fault I think). But this
link and a little bit corrected CYS-MPR link
are available
www.ysbl.york.ac.uk/refmac/data/refmac_dictionary.tar.gz
CYS-BME link Paul has sent is very similar to that from dictionary
with one small difference. Link from the dictionary removes hydrogen
from SG of CYS and S2 of BME so it should be more suitable for high
resolution refinement.
regards
Garib
On 14 Jan 2009, at 11:30, Paul Emsley wrote:
For the record, the copy of the Refmac library that you get with a
Coot binary tar file unfortunately does not contain the CYS-BME.
AFAICS, the Refmac library that comes with CCP4 6.1 does not
contain CYS-BME either.
You can build your own version of the CYS-BME using CYS-MPR (the
propionate form) as a template.
However, when you have done that, I doubt that Coot will handle the
link properly - I'll see what I can do about that.
Regards,
Paul.
Garib Murshudov wrote:
You can use a link for this. The name of the link is
CYS-BME
To make sure that you have this link in the dictionary have a look:
$CLIBD_MON/list/mon_lib_list.cif
and search for CYS-BME
If you have this in the dictionary then you can just add a link
record in your pdb file. Example how to use a link in the pdb is in:
www.ysbl.york.ac.uk/refmac/data/template_link.pdb
Garib
On 14 Jan 2009, at 08:25, Don Kerkow wrote:
Hi,
I appear to have a BME adduct on one of my cysteines and was just
wondering how I form
the disulfide bond from the Cys to my imported BME monomer? Also,
what considerations,
if any, need to be taken when depositing a structure to PDB with a
modification/adduct like
this?
Thanks for any help in this regard!
Don Kerkow
