Hi, I'd like to use Open Babel to generate 3D structures from 2D structures. Structures, that are received using this tool for generation small molecules (e.g. CH4, ...), are nice. But I really don't like representation of structures from big molecules. (for instance, for these:)
My current conversion: .cdx -> .xyz using make3D. And after this, checking image from .xyz using chemcraft. And for big structures it looks not enough good. I'd like to find out why it's so (maybe I can do smt with it?). I read the information from this link: https://open-babel.readthedocs.io/en/latest/3DStructureGen/SingleConformer.html But, unfortunately, for me it's still not enough clear how exactly process of conversion happens.
Maybe are there any articles that were used for writing this operation in open babel? I'm a bit upset that I could't find anyone.
Please, if you know about that, could you send me a link with more detailed description of 3D conversion? I'd be very grateful.
_______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
