Feature Requests item #3605042, was opened at 2013-02-17 00:54 Message generated for change (Comment added) made by aherraez You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3605042&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: None Group: None Status: Open Priority: 5 Private: No Submitted By: https://www.google.com/accounts () Assigned to: Nobody/Anonymous (nobody) Summary: Jmol 13.0.10 compoundname loads wrong structures Initial Comment: glucitol,D-glucitol,D-galactitol,D-mannitol,sorbitol name searches all of them load the D-MANNITOL structure. The problem I have seems to be general for all alditols: the c2 configuration is always (R) nomatter what. The JSmol HTML site does the same thing to me. Is there something to be fixed there or something for me to learn?? Thanks for any response akis farkoius ---------------------------------------------------------------------- Comment By: Angel Herraez (aherraez) Date: 2013-02-18 02:52 Message: I'm not seeing the problem: try load files $D-mannitol $L-mannitol Both C2 and C5 are R in frame 1, and S in frame 2 (Jmol application, 13.0.8) ---------------------------------------------------------------------- Comment By: Angel Herraez (aherraez) Date: 2013-02-18 01:46 Message: Hello, Akis Loading by name depends on connection to the CACTUS database, so any problems you find depend on how are the molecules stored/defined there. The address is http://cactus.nci.nih.gov/chemical/structure ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3605042&group_id=23629 ------------------------------------------------------------------------------ The Go Parallel Website, sponsored by Intel - in partnership with Geeknet, is your hub for all things parallel software development, from weekly thought leadership blogs to news, videos, case studies, tutorials, tech docs, whitepapers, evaluation guides, and opinion stories. Check out the most recent posts - join the conversation now. http://goparallel.sourceforge.net/ _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
