[ccp4bb]: cif files of unknown ligands

[sameeta bilgrami <sameeta_b@yahoo.co.in>]

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dear all,
     hello, 
i have a ligand in my protein structure which i am
trying to refine... i made the cif file using sketcher
......but refmac does not seem to run ...however if i
put the ligand far enough from the protein molecule
(without it having any contacts), refmac does not seem
to have any problems...i tried including the link
statement in header of the pdb file but that also did
not work....there is also a cif file made by refmac
itself ...if i use that file the program seems to run
but the geometry of the protein becomes bad and so
does the density....i compared the cif file made by
the sketcher and that made by refmac ...the one made
by refmac seems also to have link information in it
..... so how do we include the correct link information
in the cif file ...is there a way to do it by means of
monomer library sketcher ....thanx in advance for the help...sameeta

=====
Sameeta Bilgrami
Research Scolar
Deptt. of biophysics
All India Instt. of Medical Scs.
India

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