`GEO_DAT="text"`

GEO_DAT provides an alternative method for supplying a geometry for a job. If more than one line of keywords is supplied, then this keyword should be on the first line.

Ways to specify "text" :

GEO_DAT="CRAMBIN 1CBN X-ray.mop"
GEO_DAT="CRAMBIN.arc"
GEO_DAT="CRAMBIN.pdb"
GEO_DAT="./CRAMBIN.arc"
GEO_DAT="../CRAMBIN.arc"
GEO_DAT="../../arc files/CRAMBIN.arc"
GEO_DAT="sub folder/CRAMBIN.arc"
GEO_DAT="./sub folder/CRAMBIN.arc"
GEO_DAT="M:\data sets\CRAMBIN 1CBN X-ray.mop"
GEO_DAT="/Users/jstewart/data_sets/CRAMBIN_1CBN_X-ray.mop"
GEO_DAT="~/data_sets/CRAMBIN_1CBN_X-ray.mop"

Only the geometry in the file specified by GEO_DAT will be used, i.e., all keywords, comments, etc., will be ignored.

Warning: If GEO_DAT refers to a file that has the same name as the data-set, but with a different suffix, and the data-set generates a file with that suffix, then the file referred to by GEO_DAT will be over-written. For example, if GEO_DAT refers to test.arc, and the data set name is test.mop, and the run would generate a file called test.arc, then the original test.arc will be over-written. If test-mop is run again, then different results might be obtained, because the file referred to by GEO_DAT had changed.