ROCS will no longer crash if a query contains only hydrogens or dummy atoms. If the
query file contains multiple queries, ROCS will skip the bad structure and continue
the search; if the query file contains only a bad structure, ROCS will halt the search.
A bug that caused ROCS to ignore the -eon_input_file command line flag has been fixed.
A bug that caused ROCS to ignore the -shapeonly option if a shape query (.sq) was
used has been fixed. ROCS now issues a warning and terminates the search.
ROCS will no longer terminate a search if a molecule stream is used as the database file.
ROCS will no longer terminate a search if a named pipe is used as the database file.
A bug that caused CHUNKER to fail when splitting large conformer databases has
been fixed. CHUNKER will now split large databases into the sizes requested by the user.
CHUNKER will no longer accept negative numbers for -chunksize and -nchunks command line options.
A bug that caused CHUNKER to crash if the input file was empty or did not exist has been fixed.
Query information reported by ROCS has been enhanced. For example, for a multi-conformer
query, ROCS will output conformer information as follows: Query (#1): acetsali conformer 1 of 15,
Query (#2): acetsali conformer 2 of 15 ... and so on.
CHECKCFF will no longer accept non-OEB format as output file format.
HLMERGE will no longer accept negative numbers for -besthits command line option.