tag:blogger.com,1999:blog-7844526396210378482.post3142964033461060426..comments2024-01-31T09:23:26.925+00:00Comments on Noel O'Blog: Python - the scripting language of chemistryNoel O'Boylehttp://www.blogger.com/profile/03288289351940689018noreply@blogger.comBlogger4125tag:blogger.com,1999:blog-7844526396210378482.post-2655040782332838162008-03-26T18:24:00.000+00:002008-03-26T18:24:00.000+00:00@tom: It was good to meet you Tom. Hope you got so...@tom: It was good to meet you Tom. Hope you got something out of it. Regarding skc, there's a <A HREF="http://sourceforge.net/tracker/index.php?func=detail&aid=1711857&group_id=40728&atid=447448" REL="nofollow">feature request</A> for it, but no-one has written a reader, I'm afraid.Noel O'Boylehttps://www.blogger.com/profile/03288289351940689018noreply@blogger.comtag:blogger.com,1999:blog-7844526396210378482.post-35416927765158924112008-03-26T09:56:00.000+00:002008-03-26T09:56:00.000+00:00Thanks for some useful links there. Hello, by the ...Thanks for some useful links there. Hello, by the way - we met briefly at the CCP1 do the other week. I'm looking forward to playing around with Pybel but slightly miffed to find that OpenBabel doesn't seem to support the file format we've rashly chosen to save all our structures in (skc)...Unknownhttps://www.blogger.com/profile/09563576178964788687noreply@blogger.comtag:blogger.com,1999:blog-7844526396210378482.post-10392941278733757602008-03-23T10:42:00.000+00:002008-03-23T10:42:00.000+00:00What about cclib?What about cclib?Karolhttps://www.blogger.com/profile/17032498937126368914noreply@blogger.comtag:blogger.com,1999:blog-7844526396210378482.post-81384225858756256992008-03-22T08:56:00.000+00:002008-03-22T08:56:00.000+00:00I wonder how much work it would be to make python ...I wonder how much work it would be to make python wrappers for the CDK...Egon Willighagenhttps://www.blogger.com/profile/07470952136305035540noreply@blogger.com