[ccp4bb]: PDB2CIF (summary)

[Pete <Peter.Burkhard@unibas.ch>]

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Here is my "success-story" on the conversion of CIF-files to PDB files.
According to your suggestions I tried the following:

I downloaded PLATON
 - conversion of the first CIF-file caused the program to crash
 - conversion of the second CIF-file produced a useful PDB file!!
 => success rate 50%

I tried to use "libcheck" 
 - there is a typo in the manual _FILE_OUT and _FILE_O are mixed up
 - the warning message was:
   WARNING : residue: C00         1  chain:AA   - not found in the library
   WARNING: can't find atomic scatt.factors for :
            default symbol is "N   "
 - no PDB file was produced
 => success rate 0%

Pete Duntan suggested "Rasmol will read the small molecule cif file and
output a pdb file."
 - Rasmol was able to read one of my three CIF-files
 - It did output a PDB-file but the coordinates were completely screwed up
 => success rate ~10%

BABEL cannot read CIF-format (at least not the version we have installed)

As I reported before:
- CIFTr (from http://pdb.rutgers.edu/mmcif/). Gives a run time error.
- CIF2PDB (from http://www.bernstein-plus-sons.com/software/cif2pdb/DISCUSS.cif2pdb.html)
  doesn't compile properly - at least in my hands.

I hardly can believe. Is CIF-format even worse than any language
produced in Babel
that noone can understand. Any hints and suggestions are still appreciated!

Pete

________________________________________________________________________

PD Dr. Peter Burkhard
M.E. Müller Institut (MSB)
Klingelbergstr. 70
CH-4056 BASEL, Switzerland
          
Phone:  ++41 61 267 20 91
Fax:    ++41 61 267 21 09
E-mail: Peter.Burkhard@unibas.ch
Web:    http://www.biozentrum.unibas.ch/burkhard