Re: [ccp4bb]: strategy

["Tom Lee" <tomlee@msg.ucsf.edu>]

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Hi,

I have a question regarding refmac5.  I found the entry for my ligand in the
standard library mon_lib.cif.  However, refmac5 complains "program cannot
match the library description..." and creates a new description for this
ligand.  Using ccp4i, I generated a pdb file of this ligand using the entry
in the standard library and run refmac5 on this file and got the same
result. I checked and made sure that the residue name, atom names and even
the postion and spacing of the atom names in the pdb records are all
matched.  Most of the description written by refmac5 is wrong, including
links, bond length, bond angles.  Why can't refmac5 find a ligand generated
from its own library?  Can anyone tell me what's wrong?  In the standard
library, the ligand has a name of FS4.

Tom