30 Jul
2007
30 Jul
'07
5:05 p.m.
Hi all !!! Thanks a lot to all of you for your suggestions... As many of you have guessed it is a problem of Bulk solvent correction. When i generated the pdb file using 0 cycles, the values are very much comparable with phenix.refine. Interestingly CNS-1.2 xtal_pdbsubmission gave the same result as phenix.refine. which once again confirms that its a bulk solvent correction problem. As Huanwang suggested, pdb_extract could generate submission ready cif file. Once again thanks to all of you... But still i have problem with rmsd_bonds. I am using phenix.refine version 2007_05_29_2026 . Refmac gave rmsd_bonds 0.009 and rmsd_angles1.211 but phenix gave rmsd_bonds 0.006 & rmsd_angles 0.793. regards John