Mercurial > repos > bgruening > openbabel_compound_convert

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dir. test-data/ drwxr-xr-x
file change_title_to_metadata_value.py 1513 -rwxr-xr-x
file cheminfolib.py 10407 -rw-r--r--
file distance_finder.py 3478 -rw-r--r--
file macros.xml 1626 -rw-r--r--
file multi_obgrep.py 3728 -rw-r--r--
file ob_addh.py 1397 -rw-r--r--
file ob_convert.xml 29695 -rw-r--r--
file ob_filter.py 5286 -rwxr-xr-x
file ob_genProp.py 2212 -rw-r--r--
file ob_remIons.py 1658 -rw-r--r--
file ob_spectrophore_search.py 3827 -rw-r--r--
file remove_protonation_state.py 1196 -rw-r--r--
file subsearch.py 3929 -rw-r--r--