Authors: Doug du Boulay, Materials and Structures Laboratory, Tokyo Institute of Technology, Nagatsuta, Midori-Ku, Yokohama Japan.
OUTSRC provides an interface from Xtal to other
external crystallographic software programs such as XD,
SHELX and VALRAY. An instruction file and associated
reflection file is created, if
Often it is quite useful to trial different structural solution programs when Xtal methods aren't successful. At other times, it could be useful to streamline the route to electronic multipole or anharmonic atomic displacement refinement programs, if the data warrant it. OUTSRC was intended to facilitate such migrations to some extent.
It hasn't been tested so thoroughly, and at least for VALRAY input it is rather incomplete.
OUTSRC shelx ../mystruct : create ../mystruct.ins and ../mystruct.hkl : comments and options after the filename will be treated as part of the filename.
OUTSRC tbar xd ../xd/xd : create ../xd/xd_ini.inp and ../xd/xd_ini.hkl : Built using Cygwin under MS Windows, forward slashes : are transparently treated as backslashes.