Dear Yang Li,
What to do depends on whether what you call ABC is the same thing as is
in the Refmac dictionary. Refmac thinks ABC is for 'MODIFIED ACARBOSE
HEXASACCHARIDE '. If that is what you have - and the atom names
match, then simply Get Monomer -> ABC. That will run libcheck and
refmac to produce a full cif dictionary and read it. Now your all set
to tug around your own ABCs.
If your ABC is not the same as Refmac, then let Refmac have a bash at
your ABC, as Virgile suggest.
The CIF description from ligand-depot is pretty useless - less than
"minimal" - and not particularly helpful to Coot or Refmac as it stands.
Paul.
Virgile Adam wrote:
Dear Yang Li,
you probably can download your library file (CIF) from the Hic-up website:
http://xray.bmc.uu.se/hicup/
Infact an heterocompound named "abc" is already existing there... that's a
"modified acarbose hexasaccharide". Is that the one you were looking for? In
this case, here it is:
http://ligand-depot.rutgers.edu/pub/ABC/ABC.cif.html
Or you can try to let refmac write one for you thanks to a refinement although
this one will probably not be an idealised ligand because derived from what's in
your structure. But you still will be able to modify it later.
Hope this helped,
Virgile
Quoting yang li <[EMAIL PROTECTED]>:
Hi All,
If I have a pdb with some residues named "abc" in it, coot can read
it and display it well,
but I cannot do real space refine to such residues. The tips asks me to
import a CIF file,
I wonder what is the format of this CIF file? How can I create it and let
coot recognise these
residues? Or there are some other ways to solve it?
Thanks!
