molfilevalidator added and blastnfilter memory fix

coleslaw481 released this 30 Oct 22:14

· 132 commits to master since this release

6a40498

Added molfilevalidator.py to validate D3R submission tarfiles. Issue #165
evaluation.py now generates RMSD.json which is a JSON version of
RMSD files. Issue #143
Added a fix to deal with out of memory errors encountered in
blastnfilter stage. Issue #5

Assets 4