Re: [Open Babel] Generation 3D structure algorithm

2018-11-12 Thread Geoffrey Hutchison
> 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. It would really help to have actual structures (e.g., both ChemDraw and XYZ) to understand what you mean by "not good enough."

[Open Babel] Generation 3D structure algorithm

2018-11-12 Thread Беляева Екатерина
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