[phenixbb] elbow-readyset

Tarek DawoD tkdawod at yahoo.com
Mon Apr 6 10:06:51 PDT 2015


Dear All
if i have pdb file for CdCl2, how could i generate cif file (to use later in phenix.refine) from that using readyset or elbow or any other tool.i could not find 3 letter could for CdCl2.
COMPND    UNNAMED                                                               AUTHOR    GENERATED BY OPEN BABEL 2.3.1                                         HETATM    1 CD   LIG     1       0.994   8.428  20.546  1.00  0.00          Cd  HETATM    2 CL1  LIG     1      -0.441   6.507  20.373  1.00  0.00          Cl  HETATM    3 CL2  LIG     1       3.190   7.731  21.231  1.00  0.00          Cl  END
Thank you for Help.regardsTK_DawoD
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