Dear Carlos,

You are correct. I reinstalled CCP4 two days ago and also got version 0044 and that did not incude the new shelxe_2017-1. However the new shelxe is definitely on the shelx server. It is a single statically linked executable with no dependencies (!) so you can simply replace the old file with it by hand (under Linux, 'which shelxe' will tell you where it is). The CCP4 people may be worried that the new shelxe will break some of their pipelines, but I am not expecting problems. Also some of them are at the Meeting in India. However they do need to change several of their pipelines to take advantage of the new tracing features such as -Q, -B3 and -a (without a number) that are a significant improvement at lower resolution. See 'recent changes' on the shelx homepage for details.

Best wishes, George


On 08/28/2017 03:40 PM, Carlos CONTRERAS-MARTEL wrote:
Hi George,

thank you very much for your answer, but I think that my updated version of ccp4-7.0.0044 is not using this version of shelxe, or am I wrong?

Best

Carlos

--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or +49-5594-227312


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