XPLCHK – an extensible program for checking and validating X-PLOR input files
Paul B. Laub · Journal of Applied Crystallography · 1995
XPLCHK is a portable and user-extensible C-language program for checking and validating input files for X-PLOR, versions 2.1+. Motivating the development of this program was the frustration and waste of time resulting from X-PLOR runs that crash due to errors in the input file or that yield irrelevant results because of incorrect specification of key parameters. Consequently, XPLCHK scans the file for common errors, verifies that all needed files are accessible and warns the user of potential problems. In addition, symbol assignments are summarized, making it easy for the user to check that they are properly set. Coded in an open and well documented manner, XPLCHK makes it straightforward for users with a modest knowledge of to create modules specific to their use of X-PLOR. The source code is available by sending email to [email protected].