Mercurial > repos > bgruening > openbabel_spectrophore_search

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dir. test-data/ drwxr-xr-x
file change_title_to_metadata_value.py 1096 -rwxr-xr-x
file cheminfolib.py 9640 -rw-r--r--
file macros.xml 1301 -rw-r--r--
file multi_obgrep.py 3616 -rw-r--r--
file ob_addh.py 1311 -rw-r--r--
file ob_filter.py 4559 -rwxr-xr-x
file ob_genProp.py 2054 -rw-r--r--
file ob_remIons.py 1239 -rw-r--r--
file ob_spectrophore_search.py 3413 -rw-r--r--
file ob_spectrophore_search.xml 4273 -rw-r--r--
file remove_protonation_state.py 1095 -rw-r--r--
file subsearch.py 3831 -rw-r--r--