[ccp4bb] Is Kabat or Chothia numbering necessary?

Dear All: I am solving a fab structure. I am not sure if it is necessary to number the fab residues in Kabat or Chothia numbering mode. Or the common numbering is also acceptable for publishing the structure. Thanks -- Jiamu Du Key Laboratory of Proteomics Institute of Biochemistry and Cell

Re: [ccp4bb] ligand restraints

I am refining a lectin-carbohydrate complex. The electron density clearly shows that a mixture of alpha- and beta-anomers of the sugar have bound in the crystal. How can i generate appropriate restraints for the carbohydrate with alternative conformations (i.e. alpha- and beta-anomer)? At the

Re: [ccp4bb] ligand restraints

On Sunday 28 January 2007 09:57, Gerard DVD Kleywegt wrote: in principle, you could use 'floating chirality' (i.e., unrestrained improper of the chiral carbon) but this is likely to lead to distorted geometry (i.e., an improper that lies somewhere in between +35 and -35 degrees).