Re: [ccp4bb] SHELXL/ BAVERAGE

2011-05-02 Thread Fátima Fonseca
llow chain identifiers in the next version of SHELXL. Best wishes, George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Mon, 2 May 2011, Fátima Fonseca wrote: Dear

Re: [ccp4bb] SHELXL/ BAVERAGE

2011-05-02 Thread Fátima Fonseca
Dear George, I really appreciate your kind offer but I have just solved the problem. To all that may have the same issue in the future, I should say that in my case the problem was related to the use of SHELXPRO. I was not using it properly to transform the chains read by SHELXL (numbered)

Re: [ccp4bb] Ligand weak density in SHELXL

2010-06-07 Thread Fátima Fonseca
Dear Tim, Thanks for your advice. I am refining my structure anisotropically. If, as you suggested, I did something wrong converting files to use in SHELXL I would expect that the whole structure to have problems or am I wrong? And how can I assign a free variable to the whole ligand? I'v