[ccp4bb]: molrep

[Valérie Biou <valerie.biou@ibs.fr>]

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Hello

I have problems running molrep, mainly because I don't understand the
philosophy of the syntax.
For example, I input the model in pdb format, with a space group
specification P6222, but the program claims it can't find the space
group in file symlib.blc:

  WARNING: can't find space group name in the file:
            symlib.blc
               -->P6222<--
         default space group is "P 1"
  ERROR: read PDB_file of coords
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
 molrep:  Failure
 molrep:  Failure
However, the symlib file does contain all space groups.

what should I do ?
another question : suppose I want to re-run the program using an
enantiomorph space group p6422: how can one do that ?
yet another question about CIF files : is there a routine to convert pdb
to CIF files ?


.... Valerie

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Valerie Biou                         Institut de Biologie Structurale
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