| SHELIN [a] | Option | Code | Arg | Def | |
| shelx control instructions | new | external file | |||
| old | in line within compid.dat | ||||
| population treatment | pop | force atom pop to 1.0 | |||
| shelx source file(s) basename [b] | file | path | (256 chars max) instructions from | compid.ins | |
| reflections from | compid.hkl | ||||
| Notes: a. See also the program OUTSRC for exporting an Xtal archive back to Shelx input format. b. Should be used as the last option on the SHELIN line as embedded blanks are permissible, as well as the DOS disk identifier ":" and directory separators. | |||||
| The following SHELX lines are translated into XTAL commands [a] | |
| TITL, CELL, LATT, SYMM, SFAC, UNIT | for STARTX |
| HKLF | for DIFDAT/ADDREF |
| FVAR | for ADDATM |
| Notes: a. The recognised data are: the standard SHELX hkl lines (two formats) following HKLF, and the standard atom lines following FVAR. The CELL to UNIT commands must always be input, and the FVAR command and atom lines, if entered, must be the last in the SHELIN sequence. All other SHELX lines will be ignored. | |