Search for hydrogen bonds and add them to the CIF

[minimal angle=150$^\circ$] [maximum bond length 2.9 Å] [-t] [-g]

Searches and adds found hydrogen bonds (like HTAB and RTAB in Shelx) into a list for the refinement program to add to the CIF. Equivalent symmetry positions are automatically inserted and merged with the existing ones. The command can be executed several times with different parameter values, only one unique instruction will be added.

  • -t: adds extra elements (comma separated like in -t=Se,I) to the donor list. Defaults are [N,O,F,Cl,S,Br]
  • -g: if any of the found bonds are generated by symmetry transformations, the structure is grown using those symmetry transformation