ORTEP-3 dashed bonds in statistically disordered chiral subunit

Are you stuck with Shelx, going crazy with Crystals, WinGX sent you wobbly, LinGX left you slightly lost, APEXII left you for dead or just need some structural healing? Then perhaps posting here will help? Use this forum for general discussion about software, databases and web resources.
Forum rules
If you've got a problem or want to post about a specific package please use its own subforum area. If there is not an appropriate area yeap just put it in the general area below
michelon
Posts: 1
Joined: 08 Jan 2018, 12:35

ORTEP-3 dashed bonds in statistically disordered chiral subunit

Post by michelon » 08 Jan 2018, 12:57

Hello there,
i have a molecule with a statistically disordered chiral subunit. Is there a kind of automatic routine to show either the one or the other isomer. I also like to make a graph which shows both isomeres one of them with dashed bonds.
Is there an alternative to select every single bond/atom on its own?

Regards,
Michael

User avatar
Helge
Rotating Anode With Optics
Posts: 210
Joined: 26 Jan 2012, 16:04
Location: Dublin

Re: ORTEP-3 dashed bonds in statistically disordered chiral subunit

Post by Helge » 10 Jan 2018, 17:29

In most graphic interfaces to SHELXL there is am option to show only selected PARTs. I would assume that most of them can also save or export such images; I have never used them for that.

In Diamond, you can define separate atom types for each disorder part and define bonds between them. That is how I generate the sort of pictures you describe.

Return to “General Software”