[cctbxbb] changes to cctbx we have in ccp4
pafonine at lbl.gov
Mon Apr 4 08:31:47 PDT 2016
> - probe and reduce are called in mmtbx through phenix wrappers
> (phenix.probe and phenix.reduce). We prefer to call them directly, but
> I guess it's not to be changed in cctbx. But after changing the name I
> also had to remove error checking in mmtbx/validation/clashscore.py
> that checks return code from phenix.reduce. Reduce itself quite often
> returns non-zero, it's just that the phenix.reduce wrapper ignores it
> and always returns 0 (probably not intentionally).
what you mean by "call them directly"?
Yes, there are multiple instances of calling these programs in mmtbx
trim = "phenix.reduce -quiet -trim -"
result = easy_run.fully_buffered(trim)
which is super-ugly! Ideally those C (or C++?) programs should be
wrapped using boost.python and thus made available in Python.
More information about the cctbxbb