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Dear all,

sorry for being off-topic!

I have been experimenting with the latest phenix build [1].

I am fairly impressed with phenix.canephor [2]. At first sight the projected
density looked a little week until I realised that I had used
phenix.project.mediterranean. As I switched to phenix.project.occidental, the
result was expectedly a good average. The rmsd of about 5e12A was also fairly
acceptable, it seemed to me.

Subsequently I attempted to improve the result using phenix.calzone [3].
Unfortunately this program crashed because of a missing libcapsicum.so.4.01.11
which I could not finde anywhere on the web. Could anyone please let me know
where to find this library?


Best wishes, Tim

P.S. How about the resolution limit of 2.56A - couldnin principle one should be
able to improve this significantly by switching from CuKa to, e.g MoKa
radiation?


[1] PHENIX: a comprehensive Python-based system for macromolecular structure
solution. P. D. Adams, P. V. Afonine, G. Bunkóczi, V. B. Chen, I. W. Davis, N.
Echols, J. J. Headd, L.-W. Hung, G. J. Kapral, R. W. Grosse-Kunstleve, A. J.
McCoy, N. W. Moriarty, R. Oeffner, R. J. Read, D. C. Richardson, J. S.
Richardson, T. C. Terwilliger and P. H. Zwart. Acta Cryst. D66, 213-221 (2010).

[2] Crystal cookery - using high-throughput technologies and the grocery store
as a teaching tool. J. R. Luft, N. M. Furlani, R. E. NeMoyer, E. J. Penna, J. R.
Wolfley, M. E. Snell, S. A. Potter and E. H. Snell J. Appl. Cryst. (2010). 43,
1189-1207

-- 

[3] Structure and stereochemistry of
(24R)-27-nor-5[alpha]-cholestane-3[beta],4[beta],5,6[alpha],7[beta],8,14,15[alpha],24-nonaol:
a highly hydroxylated marine steroid from the starfish Archaster typicus. C. A.
Mattia, L. Mazzarella, R. Puliti, R. Riccio and L. Minale. Acta Cryst. (1988).
C44, 2170-2173 
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

phone: +49 (0)551 39 22149

GPG Key ID = A46BEE1A