Dear ccp4ers,

Does someone by any chance have a snippet of code (in whatever language but PERL, C, or FORTRAN for preference) that would perform coordinate fit for two sets of atoms? I don’t need anything fancy, just some simple code to fit two peptides of equal length and composition. Yes, I can do it in one of the many programs such as lsqcab, pymol, lsqman, etc. but I need to iterate this process many thousands of times so I’d rather not execute thousands of time-wasting system calls.

I can write the code myself but this is a quick and dirty attempt to answer a question that’s been bothering me for some time and I’d rather not spend an evening trying to figure out why my stuff does not work J

Thank you J

Artem