User 870ab5b546
10-10-2005 13:06:14
It would be nice to have a Mirror function in Marvin that generates the enantiomer of a compound. The Flip function preserves the configuration of all enantiomers; a Mirror function would invert them.
ChemAxon 7c2d26e5cf
10-10-2005 15:19:29
It's a good idea. We will implement it.
User 870ab5b546
31-07-2006 21:02:06
It doesn't appear that Marvin 4.1 alpha has this feature. I hope you haven't changed your mind about its desirability.
ChemAxon a3d59b832c
01-08-2006 07:33:48
No, but we can't put all good ideas into the program, because you and other users would have to wait forever for the new release. It has been delayed long enough. We had to reschedule lower priority issues to a later release.
User 870ab5b546
10-08-2006 17:13:57
OK, I wrote my own jsp file that does the trick. You can find it at
http://epoch.chem.uky.edu:9080/epoch-plugin/public/invertStereo.jsp. It works on both 2D and 3D files. It also works on individual stereocenters or entire molecules.
I posted this in the implementations section, too.
I'd be happy to contribute my code to you if you would incorporate it into Marvin.
User 870ab5b546
29-01-2008 16:47:05
I see that Marvin 5.0 has the Mirror function. Thanks for adding it. It will be very useful.
On another topic, please make the dative/coordinate bond available on your demo page. It's not available from either the toolbar or the popup menu.
User 870ab5b546
30-01-2008 15:27:08
Is there a Marvin 5.0 API method that corresponds to the flip or mirror function in the GUI? I looked for flip(), mirror(), and getEnantiomer() in Molecule, MoleculeGraph, and CGraph, to no avail. Such a function would be useful.
ChemAxon 7c2d26e5cf
04-02-2008 16:23:17
Currently, it is not available from the API. We will consider your request.