I don't know how many of you are frustrated with AO5* in NADP NAP (and in NAD). I trolled the web looking for a solution but did not find it.
I think I have converted the current NAP nomenclature from the EBI in REFMAC and COOT to use the new agreed nomenclature for this residue. Simply replace your NAP.cif in the coot/share/lib/monomers/n/ And in ccp4/lib/data/monomers/n/ It is attached, along with a PDB file. This now works in both COOT and in REFMAC (as far as I can see). So now you can manipulate NADP in COOT without atoms getting left off or any kludges. There is still a problem with the dictionary in regularize COOT and REFMAC. It leads to a flat ring for the ribose. This is wrong, however, if in COOT I turn on torsion restraints goes haywire. This I think has always a been a problem with the original refmac dictionary. Anyway if anyone has a fix, please let me know. I suspect it is to do with periodicity of the torsion restraints. If I solve this I will email the BB. If anyone has done with this NAD, the community would benefit. Since I could not find the fix for NAP in my efforts. Best Jim James H. Naismith FRSE |Research mailto:[EMAIL PROTECTED] Professor of Chemical Biology |Teaching mailto:[EMAIL PROTECTED] Centre for Biomolecular Sciences |Office: 1334-463792 The North Haugh |Fax : 1334-467229 The University |Lab : 1334-467245 St. Andrews |In UK add 0 to start of number Fife Scotland, U.K., KY16 9ST |http://www.st-and.ac.uk/~strucbio The University of St Andrews is a charity registered in Scotland : No SC013532
NAP.cif
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npx-coot-1_refmac1.pdb
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