From: Rajarshi G. <rg...@in...> - 2008-10-19 19:47:30
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On Oct 19, 2008, at 3:14 PM, Egon Willighagen wrote: > On Sun, Oct 19, 2008 at 9:12 PM, Rajarshi Guha <rg...@in...> > wrote: >> On Oct 19, 2008, at 3:05 PM, Egon Willighagen wrote: >>> https://apps.sourceforge.net/mediawiki/cdk/index.php? >>> title=CDK_1.2_TODO >> >> I'd also point out that a number of bugs on the list refer to 1.0 >> and have >> been fixed in trunk (and 1.2.x). I haven't closed some of them, >> since the >> data files don't work. But I don't think they are worth fixing, >> given that >> we are going to be putting out 1.2 > > Please be more specific and list the bug numbers. 2032597 - https://sourceforge.net/tracker2/? func=detail&aid=2032597&group_id=20024&atid=120024 1955638 - https://sourceforge.net/tracker2/? func=detail&aid=1955638&group_id=20024&atid=120024 2031509 - https://sourceforge.net/tracker2/? func=detail&aid=2031509&group_id=20024&atid=120024 Also, the following bug was posted on the list for discussion, but nobody replied. I think this can be a major source of inconsistency and needs to be addressed, ASAP. 2101109 - https://sourceforge.net/tracker2/? func=detail&aid=2101109&group_id=20024&atid=120024 The atom typing overwriting bug is easy to fix - just needs to be discussed and implemented. The VdW bug is also easy to fix - we just need to agree on whether to use covalent radii (atom type dependent) or VdW radii (atom type independent) ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 ------------------------------------------------------------------- A computer lets you make more mistakes faster than any other invention, with the possible exceptions of handguns and Tequilla. -- Mitch Ratcliffe |