Dear all, 

I’m sorry for the off-topic question. 

Using SHELX, I’m trying to get extra bonds between symmetry equivalents using 
the command ‘BIND’ and ‘EQIV’. However, although these bonds are visulised in 
e.g. Olex2, they do not show up in the connectivity list, hampering the 
addition of H-atoms on calculated positions. The same happens when using 
Shelxle. 

Could it be that this happens because the bonds are created between different 
PARTS (A and B in this case)? 

E.g. some commands I use:

EQIV $1 1-X,1-Y,1-Z
BIND C51A C52B_$1
BIND C51B C53A_$1
BIND C53B C52A_$1


Thank you very much for any suggestions?!

Regards

Kristof




 

 
########################################################################

To unsubscribe from the CCP4BB list, click the following link:
https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1

Reply via email to