File | Date | Author | Commit |
---|---|---|---|
ChemSpotlight | 2007-06-27 | ghutchis | [r1996] Prepped for 1.2.1 release. |
contributed | 2011-09-03 | baoilleach | [r4551] MCS-Cliquer: Add Igor's MCIS and MCES code to c... |
openbabel | 2012-10-17 | chrismorl | [r5041] Make the extraction of metadata in gaussformat ... |
test-set | 2008-07-03 | ghutchis | [r2679] Updates for new 2.2 formats. |