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Save as mol2 with Double Bonds


#1

How do I get a double bond to show up when saving as mol2?
Thanks.


#2

I’m not sure I understand. If you set bond orders, e.g. C=O, they’re retained in the mol2 format.

Can you give a specific example?
Maybe a screenshot or picture?
Can you upload the mol2 file you’re asking about?


#3

Sorry. It seems as though the problem is with the Python Molecule Viewer. When I import it into that program, to convert it to a stl file for 3D printing, it loses the double bond. Maybe they have a forum that could answer my question. Thanks for your reply anyway. Best wishes. Kirk


#4

Do they support double bond rendering?

Speaking from experience, getting a double (or triple) bond in VRML/STL is tricky. I typically find they’re less mechanically robust, so I usually omit them.

However, I’ll point out that Avogadro 1.2.x and later have export to full-color VRML for 3D printing. If you need the STL instead of VRML, there are a variety of converters available.